4-(2-tert-butyl-5-nitro-1H-pyrrole-4-carbonyl)-3,3-dimethylpiperazin-2-one

HCID 58679367
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Basic information

Standard SMILES
CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2(C)C)c([N+](=O)[O-])[nH]1
InChIKey
MLRUQWHCNJPMQW-UHFFFAOYSA-N
Molecular formula
C15H22N4O4
Average molar mass
322.36 g/mol

Names & identifiers

Preferred name
4-(2-tert-butyl-5-nitro-1H-pyrrole-4-carbonyl)-3,3-dimethylpiperazin-2-one
IUPAC
4-(5-tert-butyl-2-nitro-1H-pyrrole-3-carbonyl)-3,3-dimethylpiperazin-2-one

Names & synonyms

SCHEMBL3545353MLRUQWHCNJPMQW-UHFFFAOYSA-N4-(2-tert-butyl-5-nitro-1H-pyrrole-4-carbonyl)-3,3-dimethylpiperazin-2-one

Database identifiers

PubChem CID
58679367

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
111 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
23

Related reactions

4 records
New reaction record

Compound notes

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