Basic information
- Standard SMILES
CC(=O)C#CC=C1CCN(c2ncccc2[N+](=O)[O-])CC1- InChIKey
HOFGVDIOABFOIJ-UHFFFAOYSA-N- Molecular formula
- C15H15N3O3
- Average molar mass
- 285.3 g/mol
Names & identifiers
- Preferred name
- 5-[1-(3-Nitropyridin-2-yl)piperidin-4-ylidene]pent-3-yn-2-one
- IUPAC
- 5-[1-(3-nitro-2-pyridinyl)piperidin-4-ylidene]pent-3-yn-2-one
Names & synonyms
SCHEMBL3644001HOFGVDIOABFOIJ-UHFFFAOYSA-N5-[1-(3-nitropyridin-2-yl)piperidin-4-ylidene]pent-3-yn-2-one
Database identifiers
- PubChem CID
- 25181792
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 499
Related reactions
2 records
Compound notes
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