Basic information
- CAS
151390-86-2- Standard SMILES
O=C(C=Cc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1- InChIKey
XCHYJMLZAJKYMN-UHFFFAOYSA-N- Molecular formula
- C17H12N2O3
- Average molar mass
- 292.29 g/mol
- Monoisotopic mass
- 292.08479225
Names & identifiers
- Preferred name
- 2-Propen-1-one, 3-(1H-indol-3-yl)-1-(3-nitrophenyl)-, (E)-
- IUPAC
- 3-(1H-indol-3-yl)-1-(3-nitrophenyl)prop-2-en-1-one
Names & synonyms
151390-86-22-Propen-1-one, 3-(1H-indol-3-yl)-1-(3-nitrophenyl)-, (E)-3-(1H-indol-3-yl)-1-(3-nitrophenyl)prop-2-en-1-oneDTXSID60326697
Database identifiers
- CAS
151390-86-2- PubChem CID
- 355697
- DTXSID
DTXSID60326697
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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