1-[2-[benzyl(methyl)amino]acetyl]pyrrolidin-2-one

C14H18N2O2 — CID 667782

IUPAC1-[2-[benzyl(methyl)amino]acetyl]pyrrolidin-2-one
SMILESCN(CC(=O)N1CCCC1=O)Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-15(10-12-6-3-2-4-7-12)11-14(18)16-9-5-8-13(16)17/h2-4,6-7H,5,8-11H2,1H3
InChIKeyQGFVTSFXXKQHEZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.27
Rot. Bonds4

About 1-[2-[benzyl(methyl)amino]acetyl]pyrrolidin-2-one

1-[2-[benzyl(methyl)amino]acetyl]pyrrolidin-2-one (PubChem CID 667782) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[2-[benzyl(methyl)amino]acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[benzyl(methyl)amino]acetyl]pyrrolidin-2-one
PubChem CID667782
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[2-[benzyl(methyl)amino]acetyl]pyrrolidin-2-one
SMILESCN(CC(=O)N1CCCC1=O)Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-15(10-12-6-3-2-4-7-12)11-14(18)16-9-5-8-13(16)17/h2-4,6-7H,5,8-11H2,1H3
InChIKeyQGFVTSFXXKQHEZ-UHFFFAOYSA-N
XLogP1.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl(methyl)amino]acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[benzyl(methyl)amino]acetyl]pyrrolidin-2-one (CID 667782) is 1-[2-[benzyl(methyl)amino]acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[benzyl(methyl)amino]acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[benzyl(methyl)amino]acetyl]pyrrolidin-2-one is CN(CC(=O)N1CCCC1=O)Cc1ccccc1.
What is the InChIKey of 1-[2-[benzyl(methyl)amino]acetyl]pyrrolidin-2-one?
The InChIKey is QGFVTSFXXKQHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-15(10-12-6-3-2-4-7-12)11-14(18)16-9-5-8-13(16)17/h2-4,6-7H,5,8-11H2,1H3.
What are the key properties of 1-[2-[benzyl(methyl)amino]acetyl]pyrrolidin-2-one?
1-[2-[benzyl(methyl)amino]acetyl]pyrrolidin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(methyl)amino]acetyl]pyrrolidin-2-one is sourced from PubChem (CID 667782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).