1-(4-nitroanilino)pyrrolidin-2-one

C10H11N3O3 — CID 3842405

IUPAC1-(4-nitroanilino)pyrrolidin-2-one
SMILESO=C1CCCN1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11N3O3/c14-10-2-1-7-12(10)11-8-3-5-9(6-4-8)13(15)16/h3-6,11H,1-2,7H2
InChIKeySXZXTPKDBRRPKC-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.54
Rot. Bonds3

About 1-(4-nitroanilino)pyrrolidin-2-one

1-(4-nitroanilino)pyrrolidin-2-one (PubChem CID 3842405) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-(4-nitroanilino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-nitroanilino)pyrrolidin-2-one
PubChem CID3842405
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name1-(4-nitroanilino)pyrrolidin-2-one
SMILESO=C1CCCN1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11N3O3/c14-10-2-1-7-12(10)11-8-3-5-9(6-4-8)13(15)16/h3-6,11H,1-2,7H2
InChIKeySXZXTPKDBRRPKC-UHFFFAOYSA-N
XLogP1.54
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-nitrobenzoyl)pyrrolidin-2-one
CID 829246
1-[2-(4-nitrophenyl)ethyl]pyrrolidin-2-one;hydrochloride
CID 70071583
1-(4-nitrophenyl)azepan-2-one
CID 58962770
4-nitro-N-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]benzenesulfonamide
CID 95321177
N-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 135400600
(2-oxopyrrolidin-1-yl) 4-nitrobenzoate
CID 19909901
(2S)-1-(4-nitroanilino)pyrrolidine-2-carbonitrile
CID 15939045
4-nitro-N-(2-piperidin-1-ylethyl)aniline
CID 22048125
1-(4-nitrophenyl)sulfonylpiperidin-2-one
CID 53406269
(2S)-1-(4-nitroanilino)piperidine-2-carbonitrile
CID 15939044
1-[2-(4-nitrophenyl)-2-oxoethyl]piperidin-2-one
CID 62024655
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7686984

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitroanilino)pyrrolidin-2-one?
The IUPAC name of 1-(4-nitroanilino)pyrrolidin-2-one (CID 3842405) is 1-(4-nitroanilino)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-nitroanilino)pyrrolidin-2-one?
The canonical SMILES for 1-(4-nitroanilino)pyrrolidin-2-one is O=C1CCCN1Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitroanilino)pyrrolidin-2-one?
The InChIKey is SXZXTPKDBRRPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-10-2-1-7-12(10)11-8-3-5-9(6-4-8)13(15)16/h3-6,11H,1-2,7H2.
What are the key properties of 1-(4-nitroanilino)pyrrolidin-2-one?
1-(4-nitroanilino)pyrrolidin-2-one has a molecular weight of 221.22 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitroanilino)pyrrolidin-2-one is sourced from PubChem (CID 3842405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).