Phytochemical: 1-(3-phenylpropanoyl)-2H-pyrrol-5-one

Connections displayed (default: 10).

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Topological Polar Surface Area	37.4
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	16.0
Isotope Atom Count	0.0
Molecular Complexity	303.0
Database Name	cmaup_ingredients;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	1-(3-phenylpropanoyl)-2H-pyrrol-5-one
Prediction Hob	1.0
Xlogp	1.5
Molecular Formula	C13H13NO2
Prediction Swissadme	0.0
Inchi Key	QRHSSWNCBJFZGH-UHFFFAOYSA-N
Fcsp3	0.2307692307692307
Logs	-2.114
Rotatable Bond Count	3.0
Logd	2.423
Compound Name	1-(3-phenylpropanoyl)-2H-pyrrol-5-one
Prediction Hob Swissadme	0.0
Exact Mass	215.095
Formal Charge	0.0
Monoisotopic Mass	215.095
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	215.25
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Esol	-2.1330624
Inchi	InChI=1S/C13H13NO2/c15-12-7-4-10-14(12)13(16)9-8-11-5-2-1-3-6-11/h1-7H,8-10H2
Smiles	C1C=CC(=O)N1C(=O)CCC2=CC=CC=C2
Nring	2.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Acanthosyris Paulo-Alvinii (Plant) Rel Props:Source_db:cmaup_ingredients
2. Outgoing r'ship FOUND_IN to/from Aglaia Perviridis (Plant) Rel Props:Source_db:cmaup_ingredients
3. Outgoing r'ship FOUND_IN to/from Ardisia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients
4. Outgoing r'ship FOUND_IN to/from Betula Alnoides (Plant) Rel Props:Source_db:cmaup_ingredients
5. Outgoing r'ship FOUND_IN to/from Oocystis Polymorpha (Plant) Rel Props:Source_db:cmaup_ingredients
6. Outgoing r'ship FOUND_IN to/from Phoebe Grandis (Plant) Rel Props:Source_db:cmaup_ingredients
7. Outgoing r'ship FOUND_IN to/from Piper Sarmentosum (Plant) Rel Props:Source_db:cmaup_ingredients
8. Outgoing r'ship FOUND_IN to/from Rubus Pileatus (Plant) Rel Props:Source_db:cmaup_ingredients

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