Basic information
- Standard SMILES
CC(C)CCn1cc([N+](=O)[O-])cc1C(=O)O- InChIKey
SLGAIJBDEFRUAT-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4
- Average molar mass
- 226.23 g/mol
Names & identifiers
- Preferred name
- 1-(3-methyl-butyl)-4-nitro-1H-pyrrole-2-carboxylic acid
- IUPAC
- 1-(3-methylbutyl)-4-nitropyrrole-2-carboxylic acid
Names & synonyms
SCHEMBL1840692SLGAIJBDEFRUAT-UHFFFAOYSA-NAKOS010548324DB-1904271-Isopentyl-4-nitro-1H-pyrrole-2carboxylic acid1-(3-Methylbutyl)-4-nitro-1h-pyrrole-2-carboxylic acid1-(3-methyl-butyl)-4-nitro-1H-pyrrole-2-carboxylic acid67973-88-0
Database identifiers
- PubChem CID
- 21880772
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Related reactions
6 records
Compound notes
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