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

C11H10N2O4 — CID 829246

IUPAC1-(4-nitrobenzoyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H10N2O4/c14-10-2-1-7-12(10)11(15)8-3-5-9(6-4-8)13(16)17/h3-6H,1-2,7H2
InChIKeyKQJCFBNTFBMHJB-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.36
Rot. Bonds2

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

1-(4-nitrobenzoyl)pyrrolidin-2-one (PubChem CID 829246) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 1-(4-nitrobenzoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-nitrobenzoyl)pyrrolidin-2-one
PubChem CID829246
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name1-(4-nitrobenzoyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H10N2O4/c14-10-2-1-7-12(10)11(15)8-3-5-9(6-4-8)13(16)17/h3-6H,1-2,7H2
InChIKeyKQJCFBNTFBMHJB-UHFFFAOYSA-N
XLogP1.36
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2-oxopyrrolidin-1-yl) 4-nitrobenzoate
CID 19909901
7-chloro-1-(4-nitrobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 19607774
(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-nitrophenyl)methanone
CID 895005
[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 3092238
1-[2-(4-nitrophenyl)-2-oxoethyl]piperidin-2-one
CID 62024655
1-(4-methoxybenzoyl)pyrrolidin-2-one
CID 67930161
4-(2-oxopiperidine-1-carbonyl)benzonitrile
CID 141391149
4-(2-oxoazepane-1-carbonyl)benzoyl chloride
CID 71445417
(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 110291906
1-(4-nitroanilino)pyrrolidin-2-one
CID 3842405
(2-benzylimino-1,3-thiazinan-3-yl)-(4-nitrophenyl)methanone
CID 2123940
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide
CID 16835048

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrobenzoyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-nitrobenzoyl)pyrrolidin-2-one (CID 829246) is 1-(4-nitrobenzoyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-nitrobenzoyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-nitrobenzoyl)pyrrolidin-2-one is O=C1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrobenzoyl)pyrrolidin-2-one?
The InChIKey is KQJCFBNTFBMHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-10-2-1-7-12(10)11(15)8-3-5-9(6-4-8)13(16)17/h3-6H,1-2,7H2.
What are the key properties of 1-(4-nitrobenzoyl)pyrrolidin-2-one?
1-(4-nitrobenzoyl)pyrrolidin-2-one has a molecular weight of 234.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrobenzoyl)pyrrolidin-2-one is sourced from PubChem (CID 829246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).