Cyclopentanone, 2-(1-methylpropyl)-

PubChem CID: 558511

Connections displayed (default: 10).

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Compound Synonyms	2-sec-Butylcyclopentanone, Cyclopentanone, 2-(1-methylpropyl)-, 6376-92-7, Cyclopentanone, 2-sec-butyl-, SCHEMBL10453942, 2-(1-methylpropyl)cyclopentanone, DTXSID20339763, WVPBKXPDHMXIKD-UHFFFAOYSA-N, AKOS017983860
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCCC1
Np Classifier Class	Menthane monoterpenoids, Monocyclic monoterpenoids
Deep Smiles	CCCCCCCC5=O))))))C
Heavy Atom Count	10.0
Classyfire Class	Organooxygen compounds
Scaffold Graph Node Level	OC1CCCC1
Classyfire Subclass	Carbonyl compounds
Isotope Atom Count	0.0
Molecular Complexity	129.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	2-butan-2-ylcyclopentan-1-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organic oxygen compounds
Xlogp	2.3
Gsk 4 400 Rule	True
Molecular Formula	C9H16O
Scaffold Graph Node Bond Level	O=C1CCCC1
Prediction Swissadme	0.0
Inchi Key	WVPBKXPDHMXIKD-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.8888888888888888
Logs	-2.079
Rotatable Bond Count	2.0
Logd	2.042
Synonyms	2-(1-methylpropyl)cyclopentanone
Esol Class	Soluble
Functional Groups	CC(C)=O
Compound Name	Cyclopentanone, 2-(1-methylpropyl)-
Prediction Hob Swissadme	0.0
Exact Mass	140.12
Formal Charge	0.0
Monoisotopic Mass	140.12
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	140.22
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-2.0264012
Inchi	InChI=1S/C9H16O/c1-3-7(2)8-5-4-6-9(8)10/h7-8H,3-6H2,1-2H3
Smiles	CCC(C)C1CCCC1=O
Nring	1.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Monoterpenoids

1. Outgoing r'ship FOUND_IN to/from Abies Canadensis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Alternanthera Sessilis (Plant) Rel Props:Reference:https://doi.org/10.7324/japs.2016.601222
3. Outgoing r'ship FOUND_IN to/from Anagallis Arvensis (Plant) Rel Props:Reference:
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15. Outgoing r'ship FOUND_IN to/from Lactuca Canadensis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Mentha Aquatica (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
18. Outgoing r'ship FOUND_IN to/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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24. Outgoing r'ship FOUND_IN to/from Mentha Incana (Plant) Rel Props:Reference:
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30. Outgoing r'ship FOUND_IN to/from Mentha Requienii (Plant) Rel Props:Reference:
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34. Outgoing r'ship FOUND_IN to/from Mentha Sylvestris (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Mentha Timija (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Mentha X (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Nigella Arvensis (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Polygala Arvensis (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Ranunculus Arvensis (Plant) Rel Props:Reference:
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41. Outgoing r'ship FOUND_IN to/from Sanguinaria Canadensis (Plant) Rel Props:Reference:
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47. Outgoing r'ship FOUND_IN to/from Torilis Arvensis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Veronica Arvensis (Plant) Rel Props:Reference:

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Cyclopentanone, 2-(1-methylpropyl)-

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Phytochemical Properties

Associated Connections 48

Plant Connections 48