1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one

C11H13ClN2O — CID 63090019

IUPAC1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one
SMILESCNc1ccc(N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C11H13ClN2O/c1-13-8-4-5-10(9(12)7-8)14-6-2-3-11(14)15/h4-5,7,13H,2-3,6H2,1H3
InChIKeyVZTXTWVMXUGQIB-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.51
Rot. Bonds2

About 1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one

1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one (PubChem CID 63090019) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one
PubChem CID63090019
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one
SMILESCNc1ccc(N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C11H13ClN2O/c1-13-8-4-5-10(9(12)7-8)14-6-2-3-11(14)15/h4-5,7,13H,2-3,6H2,1H3
InChIKeyVZTXTWVMXUGQIB-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[4-(methylamino)phenyl]pyrrolidin-2-one
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N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-5-hydroxypentanamide
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CID 25495530
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N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 17443162
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
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CID 17452256
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide
CID 24600272
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide
CID 46699695
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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one (CID 63090019) is 1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one is CNc1ccc(N2CCCC2=O)c(Cl)c1.
What is the InChIKey of 1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one?
The InChIKey is VZTXTWVMXUGQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-13-8-4-5-10(9(12)7-8)14-6-2-3-11(14)15/h4-5,7,13H,2-3,6H2,1H3.
What are the key properties of 1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one?
1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one has a molecular weight of 224.69 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 63090019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).