1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-2-one

C11H13ClN2O — CID 13062328

IUPAC1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(N)c(Cl)cc1N1CCCC1=O
InChIInChI=1S/C11H13ClN2O/c1-7-5-9(13)8(12)6-10(7)14-4-2-3-11(14)15/h5-6H,2-4,13H2,1H3
InChIKeyOEBJMFHDKOSECF-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.36
Rot. Bonds1

About 1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-2-one

1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-2-one (PubChem CID 13062328) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-2-one
PubChem CID13062328
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(N)c(Cl)cc1N1CCCC1=O
InChIInChI=1S/C11H13ClN2O/c1-7-5-9(13)8(12)6-10(7)14-4-2-3-11(14)15/h5-6H,2-4,13H2,1H3
InChIKeyOEBJMFHDKOSECF-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-2-one (CID 13062328) is 1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-2-one is Cc1cc(N)c(Cl)cc1N1CCCC1=O.
What is the InChIKey of 1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-2-one?
The InChIKey is OEBJMFHDKOSECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-7-5-9(13)8(12)6-10(7)14-4-2-3-11(14)15/h5-6H,2-4,13H2,1H3.
What are the key properties of 1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-2-one?
1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-2-one has a molecular weight of 224.69 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 13062328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).