2-methoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
Basic information
- CAS
1003587-66-3- Standard SMILES
COc1ccc2c(n1)CCNCC2- InChIKey
ASXNHDUKISMVPJ-UHFFFAOYSA-N- Molecular formula
- C10H14N2O
- Average molar mass
- 178.23 g/mol
Names & identifiers
- Preferred name
- 2-methoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
- IUPAC
- 2-methoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
- English name
- 5H-Pyrido[2,3-d]azepine, 6,7,8,9-tetrahydro-2-methoxy-
- Molecular formula
- C10H14N2O
- Molecular weight
- 178.23
Names & synonyms
2-methoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine1003587-66-32-methoxy-5H,6H,7H,8H,9H-pyrido[2,3-d]azepineSCHEMBL4009744SCHEMBL29730608ASXNHDUKISMVPJ-UHFFFAOYSA-NCS-0104841D764825H-Pyrido[2,3-d]azepine, 6,7,8,9-tetrahydro-2-methoxy-
Database identifiers
- CAS
1003587-66-3
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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