3-(furan-2-yl)-1-(4-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one
Basic information
- CAS
1375163-52-2- Standard SMILES
O=C(CCc1ccco1)N1CCc2c1cccc2[N+](=O)[O-]- InChIKey
NCBVSPXKNAWJRF-UHFFFAOYSA-N- Molecular formula
- C15H14N2O4
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.09535693
Names & identifiers
- Preferred name
- 3-(furan-2-yl)-1-(4-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one
- IUPAC
- 3-(furan-2-yl)-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one
Names & synonyms
DTXSID601168409AKOS033185934Z12393738961-Propanone, 1-(2,3-dihydro-4-nitro-1H-indol-1-yl)-3-(2-furanyl)-3-(furan-2-yl)-1-(4-nitro-2,3-dihydro-1H-indol-1-yl)propan-1-one1375163-52-2
Database identifiers
- CAS
1375163-52-2- PubChem CID
- 72041251
- DTXSID
DTXSID601168409
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 409
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Compound notes
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