3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one

C13H18N2O — CID 79749381

IUPAC3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one
SMILESCc1ccccc1CCN1CCC(N)C1=O
InChIInChI=1S/C13H18N2O/c1-10-4-2-3-5-11(10)6-8-15-9-7-12(14)13(15)16/h2-5,12H,6-9,14H2,1H3
InChIKeyHVTFIGMZDSPOET-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.10
Rot. Bonds3

About 3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one

3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one (PubChem CID 79749381) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one
PubChem CID79749381
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one
SMILESCc1ccccc1CCN1CCC(N)C1=O
InChIInChI=1S/C13H18N2O/c1-10-4-2-3-5-11(10)6-8-15-9-7-12(14)13(15)16/h2-5,12H,6-9,14H2,1H3
InChIKeyHVTFIGMZDSPOET-UHFFFAOYSA-N
XLogP1.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one (CID 79749381) is 3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one is Cc1ccccc1CCN1CCC(N)C1=O.
What is the InChIKey of 3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is HVTFIGMZDSPOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-4-2-3-5-11(10)6-8-15-9-7-12(14)13(15)16/h2-5,12H,6-9,14H2,1H3.
What are the key properties of 3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one?
3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 79749381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).