4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one

C10H9ClN2O3 — CID 118276984

IUPAC4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2cc(Cl)ccc2[N+](=O)[O-])CN1
InChIInChI=1S/C10H9ClN2O3/c11-7-1-2-9(13(15)16)8(4-7)6-3-10(14)12-5-6/h1-2,4,6H,3,5H2,(H,12,14)
InChIKeyAJHPBTSWIPGKPM-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.85
Rot. Bonds2

About 4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one

4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one (PubChem CID 118276984) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is 4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one
PubChem CID118276984
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2cc(Cl)ccc2[N+](=O)[O-])CN1
InChIInChI=1S/C10H9ClN2O3/c11-7-1-2-9(13(15)16)8(4-7)6-3-10(14)12-5-6/h1-2,4,6H,3,5H2,(H,12,14)
InChIKeyAJHPBTSWIPGKPM-UHFFFAOYSA-N
XLogP1.85
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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CID 55263842
4-chloro-2-cyclohexyl-1-nitrobenzene
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CID 113358036
N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193218
5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 62896045
4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one
CID 131262023
N-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193364
(2S)-2-(5-chloro-2-nitrophenyl)piperazine;hydrochloride
CID 171193773
(2S)-2-(5-chloro-2-nitrophenyl)piperidine
CID 131335859
4-chloro-1-cyclopropyl-2-nitrobenzene
CID 130133348
3-(5-chloro-2-nitrophenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
CID 71870854
(3S)-3-(5-chloro-2-nitrophenyl)morpholine
CID 131335857

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one (CID 118276984) is 4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one is O=C1CC(c2cc(Cl)ccc2[N+](=O)[O-])CN1.
What is the InChIKey of 4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one?
The InChIKey is AJHPBTSWIPGKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c11-7-1-2-9(13(15)16)8(4-7)6-3-10(14)12-5-6/h1-2,4,6H,3,5H2,(H,12,14).
What are the key properties of 4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one?
4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one has a molecular weight of 240.65 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 118276984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).