Basic information
- Standard SMILES
CC1NC(=O)C(N)c2ccccc21- InChIKey
COUXOWIWJPVDPQ-UHFFFAOYSA-N- Molecular formula
- C10H12N2O
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.09496301
Names & identifiers
- Preferred name
- 4-Amino-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-one
- IUPAC
- 4-amino-1-methyl-2,4-dihydro-1H-isoquinolin-3-one
Names & synonyms
SCHEMBL4996377COUXOWIWJPVDPQ-UHFFFAOYSA-N4-amino-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-one
Database identifiers
- PubChem CID
- 22312643
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Related reactions
2 records
Compound notes
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