Basic information
- Standard SMILES
CC(=Cc1c2n(c3ccc(Cl)cc13)CCC2)[N+](=O)[O-]- InChIKey
OPLVQMWACSMTNX-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O2
- Average molar mass
- 276.72 g/mol
- Monoisotopic mass
- 276.0665554
Names & identifiers
- Preferred name
- 1-(7-Chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-9-yl)-2-nitro-1-propene
- IUPAC
- 6-chloro-4-(2-nitroprop-1-enyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole
Names & synonyms
SCHEMBL6641843OPLVQMWACSMTNX-UHFFFAOYSA-N1-(7-Chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-9-yl)-2-nitro-1-propene
Database identifiers
- PubChem CID
- 69849258
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 407
Related reactions
2 records
Compound notes
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