Basic information
- CAS
6937-38-8- Standard SMILES
O=C(C=Cc1ccccc1)c1c[nH]c2ccccc12- InChIKey
KEZYTIZZNLLCGX-UHFFFAOYSA-N- Molecular formula
- C17H13NO
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.09971404
Names & identifiers
- Preferred name
- 1-(1H-indol-3-yl)-3-phenylprop-2-en-1-one
- IUPAC
- 1-(1H-indol-3-yl)-3-phenylprop-2-en-1-one
Names & synonyms
1-(1H-indol-3-yl)-3-phenylprop-2-en-1-one3-cinnamoyl indoleSCHEMBL657691SCHEMBL29522745KEZYTIZZNLLCGX-UHFFFAOYSA-NDS-018751
Database identifiers
- CAS
6937-38-8- PubChem CID
- 236809
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 343
Related reactions
2 records
Compound notes
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