1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one

C12H16N2O — CID 12833278

IUPAC1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CCCC2=O)c(C)c1N
InChIInChI=1S/C12H16N2O/c1-8-5-6-10(9(2)12(8)13)14-7-3-4-11(14)15/h5-6H,3-4,7,13H2,1-2H3
InChIKeyWTFVXXJGMSQGJJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.01
Rot. Bonds1

About 1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one

1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one (PubChem CID 12833278) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one
PubChem CID12833278
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CCCC2=O)c(C)c1N
InChIInChI=1S/C12H16N2O/c1-8-5-6-10(9(2)12(8)13)14-7-3-4-11(14)15/h5-6H,3-4,7,13H2,1-2H3
InChIKeyWTFVXXJGMSQGJJ-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
1-(5-amino-2,3-dimethylphenyl)pyrrolidin-2-one
CID 13062320
1-(3-iodo-2-methylphenyl)pyrrolidin-2-one
CID 130498002
1-(4-iodo-2-methylphenyl)pyrrolidin-2-one
CID 146014874
1-(4-amino-2-methylphenyl)piperidin-2-one;ethane
CID 142825432
1-(4,5-dimethyl-3-pyridinyl)pyrrolidin-2-one
CID 171622272
1-(4-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 25155815
2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 67117839
1-(2-amino-4-tert-butylphenyl)pyrrolidin-2-one
CID 166609111
1-(5-amino-2-bromo-4-methylphenyl)pyrrolidin-2-one
CID 104815334
1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 58845272
1-[2-methyl-4-(propylamino)phenyl]pyrrolidin-2-one
CID 63090031

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one (CID 12833278) is 1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one is Cc1ccc(N2CCCC2=O)c(C)c1N.
What is the InChIKey of 1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is WTFVXXJGMSQGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-5-6-10(9(2)12(8)13)14-7-3-4-11(14)15/h5-6H,3-4,7,13H2,1-2H3.
What are the key properties of 1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one?
1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 12833278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).