1-Methylenepyrrolizidine
PubChem CID: 3990672
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| Compound Synonyms | 1-Methylenepyrrolizidine, 6029-70-5, 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizine, NCIOpen2_001299, 1H-Pyrrolizine, hexahydro-1-methylene-, DTXSID20398416, NSC89941, NSC-89941 |
|---|---|
| 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 | CC1CCC2CCCC12 |
| Np Classifier Class | Indolizidine alkaloids |
| Deep Smiles | C=CCCNC5CCC5 |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Pyrrolizidines |
| Scaffold Graph Node Level | CC1CCN2CCCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 140.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methylidene-1,2,3,5,6,8-hexahydropyrrolizine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H13N |
| Scaffold Graph Node Bond Level | C=C1CCN2CCCC12 |
| Inchi Key | SVJAUSAOZOLUJQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1-methylenepyrrolizidine |
| Esol Class | Very soluble |
| Functional Groups | C=C(C)C, CN(C)C |
| Compound Name | 1-Methylenepyrrolizidine |
| Exact Mass | 123.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 123.105 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 123.2 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H13N/c1-7-4-6-9-5-2-3-8(7)9/h8H,1-6H2 |
| Smiles | C=C1CCN2C1CCC2 |
| 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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