1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one

C11H13ClN2O — CID 168688085

IUPAC1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one
SMILESCc1ccc(N2CC(Cl)CC2=O)c(N)c1
InChIInChI=1S/C11H13ClN2O/c1-7-2-3-10(9(13)4-7)14-6-8(12)5-11(14)15/h2-4,8H,5-6,13H2,1H3
InChIKeyNWFQJCDGYYFQMG-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.92
Rot. Bonds1

About 1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one

1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one (PubChem CID 168688085) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one
PubChem CID168688085
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one
SMILESCc1ccc(N2CC(Cl)CC2=O)c(N)c1
InChIInChI=1S/C11H13ClN2O/c1-7-2-3-10(9(13)4-7)14-6-8(12)5-11(14)15/h2-4,8H,5-6,13H2,1H3
InChIKeyNWFQJCDGYYFQMG-UHFFFAOYSA-N
XLogP1.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 168688073
1-(2-bromo-4-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688070
2-(4-chloro-2-oxopyrrolidin-1-yl)-4-methylbenzonitrile
CID 168688079
1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one
CID 168688969
1-(2-amino-3,5-dimethylphenyl)-4-chloropyrrolidin-2-one
CID 168688113
4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 168689348
1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688048
1-(4-bromo-2-hydroxyphenyl)-4-chloropyrrolidin-2-one
CID 168689299
methyl 4-(4-chloro-2-oxopyrrolidin-1-yl)-3-methylbenzoate
CID 168688036
1-(2-bromo-5-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one
CID 168688119
4-chloro-1-(2-ethylphenyl)pyrrolidin-2-one
CID 168687542
4-(chloromethyl)-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 168507753

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one?
The IUPAC name of 1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one (CID 168688085) is 1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one.
What is the SMILES notation for 1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one?
The canonical SMILES for 1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one is Cc1ccc(N2CC(Cl)CC2=O)c(N)c1.
What is the InChIKey of 1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one?
The InChIKey is NWFQJCDGYYFQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-7-2-3-10(9(13)4-7)14-6-8(12)5-11(14)15/h2-4,8H,5-6,13H2,1H3.
What are the key properties of 1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one?
1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one has a molecular weight of 224.69 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one is sourced from PubChem (CID 168688085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).