Basic information
- CAS
1971-15-9- Standard SMILES
O=C1C=C2NCCCC2CC1- InChIKey
QNOBNKURFXTERB-UHFFFAOYSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Names & identifiers
- Preferred name
- 2,3,4,4a,5,6-Hexahydroquinolin-7(1H)-one
- IUPAC
- 2,3,4,4a,5,6-hexahydro-1H-quinolin-7-one
- English name
- 2,3,4,4a,5,6-Hexahydro-7(1H)-quinolinone
- Molecular formula
- C9H13NO
- Molecular weight
- 151.21
Names & synonyms
1971-15-9DTXSID904952442,3,4,4a,5,6-Hexahydroquinolin-7(1H)-oneRefChem:243787DTXCID904460542,3,4,4a,5,6-Hexahydro-7(1H)-quinolinone2,3,4,4a,5,6-hexahydro-1H-quinolin-7-one7(1H)-Quinolinone, 2,3,4,4a,5,6-hexahydro-SCHEMBL11880678
Database identifiers
- CAS
1971-15-9- PubChem CID
- 12377964
- DTXSID
DTXSID90495244- Nikkaji
- J100.011J
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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