3-amino-1-(3-methylphenyl)pyrrolidin-2-one

C11H14N2O — CID 59657856

IUPAC3-amino-1-(3-methylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2CCC(N)C2=O)c1
InChIInChI=1S/C11H14N2O/c1-8-3-2-4-9(7-8)13-6-5-10(12)11(13)14/h2-4,7,10H,5-6,12H2,1H3
InChIKeyOYVFLQGUKMSDDR-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.06
Rot. Bonds1

About 3-amino-1-(3-methylphenyl)pyrrolidin-2-one

3-amino-1-(3-methylphenyl)pyrrolidin-2-one (PubChem CID 59657856) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-amino-1-(3-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-(3-methylphenyl)pyrrolidin-2-one
PubChem CID59657856
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-amino-1-(3-methylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2CCC(N)C2=O)c1
InChIInChI=1S/C11H14N2O/c1-8-3-2-4-9(7-8)13-6-5-10(12)11(13)14/h2-4,7,10H,5-6,12H2,1H3
InChIKeyOYVFLQGUKMSDDR-UHFFFAOYSA-N
XLogP1.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 3-amino-1-(3-methylphenyl)pyrrolidin-2-one (CID 59657856) is 3-amino-1-(3-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-(3-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-(3-methylphenyl)pyrrolidin-2-one is Cc1cccc(N2CCC(N)C2=O)c1.
What is the InChIKey of 3-amino-1-(3-methylphenyl)pyrrolidin-2-one?
The InChIKey is OYVFLQGUKMSDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-3-2-4-9(7-8)13-6-5-10(12)11(13)14/h2-4,7,10H,5-6,12H2,1H3.
What are the key properties of 3-amino-1-(3-methylphenyl)pyrrolidin-2-one?
3-amino-1-(3-methylphenyl)pyrrolidin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 59657856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).