4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one

C10H8Cl2N2O3 — CID 168689091

IUPAC4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H8Cl2N2O3/c11-6-3-10(15)13(5-6)9-4-7(14(16)17)1-2-8(9)12/h1-2,4,6H,3,5H2
InChIKeySKFGXBIGZICNKA-UHFFFAOYSA-N
MW275.09 g/mol
LogP2.59
Rot. Bonds2

About 4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one

4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one (PubChem CID 168689091) has the molecular formula C10H8Cl2N2O3 and a molecular weight of 275.09 g/mol. Its IUPAC name is 4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one
PubChem CID168689091
Molecular FormulaC10H8Cl2N2O3
Molecular Weight275.09 g/mol
Exact Mass273.99
IUPAC Name4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H8Cl2N2O3/c11-6-3-10(15)13(5-6)9-4-7(14(16)17)1-2-8(9)12/h1-2,4,6H,3,5H2
InChIKeySKFGXBIGZICNKA-UHFFFAOYSA-N
XLogP2.59
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-oxopyrrolidin-1-yl)-5-nitrobenzonitrile
CID 168689374
1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168703542
1-(2-chloro-5-nitrophenyl)pyrrolidine
CID 673948
1-(2-chloro-4-nitrophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671730
1-(2-carboxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691696
methyl 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-nitrobenzoate
CID 168702197
(3R)-1-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075980
4-chloro-1-(4-nitronaphthalen-1-yl)pyrrolidin-2-one
CID 168689019
5-amino-2-(2-chloro-5-nitrophenyl)-4H-pyrazol-3-one
CID 71331583
4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one
CID 43521187
4-chloro-1-(5-methoxy-2-nitrophenyl)pyrrolidin-2-one
CID 168687807
1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one
CID 168688969

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one (CID 168689091) is 4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one is O=C1CC(Cl)CN1c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one?
The InChIKey is SKFGXBIGZICNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O3/c11-6-3-10(15)13(5-6)9-4-7(14(16)17)1-2-8(9)12/h1-2,4,6H,3,5H2.
What are the key properties of 4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one?
4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one has a molecular weight of 275.09 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168689091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).