Basic information
- Standard SMILES
CN1CC(=O)Nc2ncc(C=CC(=O)O)cc2C1- InChIKey
VFFZDHDDFOAOHP-UHFFFAOYSA-N- Molecular formula
- C12H13N3O3
- Average molar mass
- 247.25 g/mol
Names & identifiers
- Preferred name
- 3-(4-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-acrylic acid
- IUPAC
- 3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enoic acid
Names & synonyms
SCHEMBL1251849VFFZDHDDFOAOHP-UHFFFAOYSA-N3-(4-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-acrylic acid
Database identifiers
- PubChem CID
- 66966201
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 370
Related reactions
42 records
Compound notes
Loading…