8-Methyl-1,2,3,3a,4,9a-hexahydrocyclopenta[a]indolizin-9b-ol
Basic information
- CAS
607375-91-7- Standard SMILES
CC1=CC2N(C=C1)CC1CCCC12O- InChIKey
ITPREBUPEIHNIW-UHFFFAOYSA-N- Molecular formula
- C12H17NO
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.13101417
Names & identifiers
- Preferred name
- 8-Methyl-1,2,3,3a,4,9a-hexahydrocyclopenta[a]indolizin-9b-ol
- IUPAC
- 8-methyl-1,2,3,3a,4,9a-hexahydrocyclopenta[a]indolizin-9b-ol
- English name
- 1H-Cyclopent[a]indolizin-9b(9aH)-ol,2,3,3a,4-tetrahydro-8-methyl-,radicalion(1+),(3aR,9aR,9bS)-rel-(9CI)
- Molecular formula
- C12H17NO
- Molecular weight
- 191.27
Names & synonyms
8-methyl-1,2,3,3a,4,9a-hexahydrocyclopenta[a]indolizin-9b-ol1H-Cyclopent[a]indolizin-9b(9aH)-ol,2,3,3a,4-tetrahydro-8-methyl-,radicalion(1+),(3aR,9aR,9bS)-rel-(9CI)
Database identifiers
- CAS
607375-91-7- PubChem CID
- 131855907
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Boiling point
- 327.9 · 327.9±31.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 14.4 · 14.40±0.40(Predicted)
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Compound notes
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