1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester

HCID 904072

Basic information

CAS
58902-77-5
Standard SMILES
CCCn1cc([N+](=O)[O-])cc1C(=O)OCC
InChIKey
FZCVMZVOIVTRFD-UHFFFAOYSA-N
Molecular formula
C10H14N2O4
Average molar mass
226.23 g/mol
Monoisotopic mass
226.09535693

Names & identifiers

Preferred name
1H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester
IUPAC
ethyl 4-nitro-1-propylpyrrole-2-carboxylate

Names & synonyms

58902-77-51H-Pyrrole-2-carboxylic acid, 4-nitro-1-propyl-, ethyl ester1-propyl-4-nitro-1H-pyrrole-2-carboxylic acid ethyl esterethyl 4-nitro-1-propyl-1H-pyrrole-2-carboxylateSCHEMBL5889676DTXSID70358606FZCVMZVOIVTRFD-UHFFFAOYSA-NAKOS018718664DB-206162AG-690/330320234-Nitro-1-propyl-1h-pyrrole-2-carboxylic acid ethyl ester

Database identifiers

CAS
58902-77-5
PubChem CID
904072
DTXSID
DTXSID70358606

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
77.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
16

Related reactions

4 records

Compound notes

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