Basic information
- Standard SMILES
COC(=O)c1ccc(N2CCCC2CO)cc1[N+](=O)[O-]- InChIKey
RNNUTFKEZPHKCG-UHFFFAOYSA-N- Molecular formula
- C13H16N2O5
- Average molar mass
- 280.28 g/mol
Names & identifiers
- Preferred name
- 4-(2-Hydroxymethyl-1-pyrrolidinyl)-2-nitrobenzoic acid methyl ester
- IUPAC
- methyl 4-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-nitrobenzoate
Names & synonyms
SCHEMBL4975475RNNUTFKEZPHKCG-UHFFFAOYSA-N4-(2-hydroxymethyl-1-pyrrolidinyl)-2-nitrobenzoic acid methyl ester
Database identifiers
- PubChem CID
- 69264246
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 370
Related reactions
6 records
Compound notes
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