1-Methylhexahydro-1H-pyrrolizine
PubChem CID: 15559671
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| Compound Synonyms | 1-Methylhexahydro-1H-pyrrolizine, 100860-09-1, 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine, 1H-Pyrrolizine,2,3,5,7a-tetrahydro-7-methyl-(6CI), 1-methylpyrrolizidine, NoName_3457, SCHEMBL2618397, CHEMBL2448854, DTXSID90902882 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 3.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCCC2C1 |
| Np Classifier Class | Quinolizidine alkaloids |
| Deep Smiles | CCCCNC5CCC5 |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Pyrrolizidines |
| Scaffold Graph Node Level | C1CC2CCCN2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 111.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H15N |
| Scaffold Graph Node Bond Level | C1CC2CCCN2C1 |
| Inchi Key | BFHBAQJJQJPDGF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1-methylpyrrolizidine |
| Esol Class | Very soluble |
| Functional Groups | CN(C)C |
| Compound Name | 1-Methylhexahydro-1H-pyrrolizine |
| Exact Mass | 125.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 125.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 125.21 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H15N/c1-7-4-6-9-5-2-3-8(7)9/h7-8H,2-6H2,1H3 |
| Smiles | CC1CCN2C1CCC2 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
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