Basic information
- CAS
498580-64-6- Standard SMILES
CN1CC/C=C\CCC1=O- InChIKey
SIHGRARNVRQWPD-IHWYPQMZSA-N- Molecular formula
- C8H13NO
- Average molar mass
- 139.19 g/mol
- Monoisotopic mass
- 139.09971404
Names & identifiers
- Preferred name
- (4Z)-1-methyl-2,3,6,7-tetrahydroazocin-8-one
- IUPAC
- (4Z)-1-methyl-2,3,6,7-tetrahydroazocin-8-one
- English name
- 2(1H)-Azocinone,3,4,7,8-tetrahydro-1-methyl-(9CI)
- Molecular formula
- C8H13NO
- Molecular weight
- 139.19
Names & synonyms
SCHEMBL274083542(1H)-Azocinone, 3,4,7,8-tetrahydro-1-methyl-2(1H)-Azocinone,3,4,7,8-tetrahydro-1-methyl-(9CI)
Database identifiers
- CAS
498580-64-6- PubChem CID
- 45087808
- Nikkaji
- J1.828.102C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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