1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one

C11H13ClN2O — CID 168688048

IUPAC1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one
SMILESCc1cc(N2CC(Cl)CC2=O)ccc1N
InChIInChI=1S/C11H13ClN2O/c1-7-4-9(2-3-10(7)13)14-6-8(12)5-11(14)15/h2-4,8H,5-6,13H2,1H3
InChIKeyDCHMBLSTYMGNKM-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.92
Rot. Bonds1

About 1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one

1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one (PubChem CID 168688048) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one
PubChem CID168688048
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one
SMILESCc1cc(N2CC(Cl)CC2=O)ccc1N
InChIInChI=1S/C11H13ClN2O/c1-7-4-9(2-3-10(7)13)14-6-8(12)5-11(14)15/h2-4,8H,5-6,13H2,1H3
InChIKeyDCHMBLSTYMGNKM-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

methyl 2-bromo-4-(4-chloro-2-oxopyrrolidin-1-yl)benzoate
CID 168687685
1-(3-aminophenyl)-4-chloropyrrolidin-2-one
CID 168689822
1-[(4-amino-3-methylphenyl)methyl]-4-chloropyrrolidin-2-one
CID 168688020
2-amino-4-(4-chloro-2-oxopyrrolidin-1-yl)benzenesulfonic acid
CID 168689165
4-chloro-1-(4-chlorophenyl)pyrrolidin-2-one
CID 168689223
4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one
CID 168688156
1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688085
2-chloro-4-(4-chloro-2-oxopyrrolidin-1-yl)-N-methylbenzamide
CID 168687616
4-chloro-1-(4-iodophenyl)pyrrolidin-2-one
CID 168689225
4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one
CID 168689243
(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 93094958
4-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 168689188

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one?
The IUPAC name of 1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one (CID 168688048) is 1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one.
What is the SMILES notation for 1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one?
The canonical SMILES for 1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one is Cc1cc(N2CC(Cl)CC2=O)ccc1N.
What is the InChIKey of 1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one?
The InChIKey is DCHMBLSTYMGNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-7-4-9(2-3-10(7)13)14-6-8(12)5-11(14)15/h2-4,8H,5-6,13H2,1H3.
What are the key properties of 1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one?
1-(4-amino-3-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-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one is sourced from PubChem (CID 168688048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).