Basic information
- CAS
62367-93-5- Standard SMILES
C/C(N)=C/C(=O)c1c(-c2ccccc2)[nH]c2ccccc12- InChIKey
UIOXYFATQNTMAT-QXMHVHEDSA-N- Molecular formula
- C18H16N2O
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.12626314
Names & identifiers
- Preferred name
- 2-Buten-1-one, 3-amino-1-(2-phenyl-1H-indol-3-yl)-
- IUPAC
- (Z)-3-amino-1-(2-phenyl-1H-indol-3-yl)but-2-en-1-one
Names & synonyms
2-Buten-1-one, 3-amino-1-(2-phenyl-1H-indol-3-yl)-62367-93-5RefChem:1062557BRN 04108463-Amino-1-(2-phenyl-1H-indol-3-yl)-2-buten-1-onePhenyl-2 (amino-3' crotonyl)-3 indole [French]Phenyl-2 (amino-3' crotonyl)-3 indole
Database identifiers
- CAS
62367-93-5- PubChem CID
- 6446540
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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