8-(2-Nitro-propenyl)-2,3-dihydro-1H-3a,6-diaza-cyclopenta[a]indene
Basic information
- Standard SMILES
CC(=Cc1c2n(c3ccncc13)CCC2)[N+](=O)[O-]- InChIKey
HMZIBPVMXNDXBV-UHFFFAOYSA-N- Molecular formula
- C13H13N3O2
- Average molar mass
- 243.26 g/mol
Names & identifiers
- Preferred name
- 8-(2-Nitro-propenyl)-2,3-dihydro-1H-3a,6-diaza-cyclopenta[a]indene
- IUPAC
- 5-(2-nitroprop-1-enyl)-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizine
Names & synonyms
SCHEMBL6025281HMZIBPVMXNDXBV-UHFFFAOYSA-N8-(2-Nitro-propenyl)-2,3-dihydro-1H-3a,6-diaza-cyclopenta[a]indene
Database identifiers
- PubChem CID
- 69640433
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 377
Related reactions
1 records
Compound notes
Loading…