5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one

C12H16N2O — CID 82506704

IUPAC5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2C(=O)CCC2CN)c1
InChIInChI=1S/C12H16N2O/c1-9-3-2-4-10(7-9)14-11(8-13)5-6-12(14)15/h2-4,7,11H,5-6,8,13H2,1H3
InChIKeyYUVKVIIXOCHZNJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.45
Rot. Bonds2

About 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one

5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one (PubChem CID 82506704) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
PubChem CID82506704
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2C(=O)CCC2CN)c1
InChIInChI=1S/C12H16N2O/c1-9-3-2-4-10(7-9)14-11(8-13)5-6-12(14)15/h2-4,7,11H,5-6,8,13H2,1H3
InChIKeyYUVKVIIXOCHZNJ-UHFFFAOYSA-N
XLogP1.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one (CID 82506704) is 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one is Cc1cccc(N2C(=O)CCC2CN)c1.
What is the InChIKey of 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one?
The InChIKey is YUVKVIIXOCHZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-3-2-4-10(7-9)14-11(8-13)5-6-12(14)15/h2-4,7,11H,5-6,8,13H2,1H3.
What are the key properties of 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one?
5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 82506704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).