1,8-Diazatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-OL
Basic information
- CAS
138875-15-7- Standard SMILES
OC1CN2CCN(C1)c1ccccc12- InChIKey
LYNKNAULUCYZLF-UHFFFAOYSA-N- Molecular formula
- C11H14N2O
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.11061307
Names & identifiers
- Preferred name
- 1,8-Diazatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-OL
- IUPAC
- 1,8-diazatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-ol
- English name
- 1,5-Ethano-2H-1,5-benzodiazepin-3-ol,3,4-dihydro-,(1-alpha-,3-bta-,5-alpha-)-(9CI)
- Molecular formula
- C11H14N2O
- Molecular weight
- 190.24166
Names & synonyms
138792-65-11,8-DIAZATRICYCLO[6.3.2.02,7]TRIDECA-2,4,6-TRIEN-10-OL138875-15-7Benzo[f]-1,5-diazabicyclo[3.2.2]nonen-3-ol1,5-Ethano-2H-1,5-benzodiazepin-3-ol,3,4-dihydro-,(1-alpha-,3-alpha-,5-alpha-)-(9CI)DTXSID20343466LYNKNAULUCYZLF-UHFFFAOYSA-N3,4-Dihydro-2H-1,5-ethano-1,5-benzodiazepin-3-ol1,5-Ethano-2H-1,5-benzodiazepin-3-ol,3,4-dihydro-,(1-alpha-,3-bta-,5-alpha-)-(9CI)
Database identifiers
- CAS
138875-15-7- PubChem CID
- 589846
- DTXSID
DTXSID20343466
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
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Compound notes
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