2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide

C14H18N2O2 — CID 139763375

IUPAC2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide
SMILESCNC(=O)CC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C14H18N2O2/c1-15-13(17)7-12-8-14(18)16(10-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17)
InChIKeyKJZQXEFJGWKKKR-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.17
Rot. Bonds4

About 2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide

2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide (PubChem CID 139763375) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide
PubChem CID139763375
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide
SMILESCNC(=O)CC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C14H18N2O2/c1-15-13(17)7-12-8-14(18)16(10-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17)
InChIKeyKJZQXEFJGWKKKR-UHFFFAOYSA-N
XLogP1.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16919255
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
4-(aminomethyl)-1-benzylpyrrolidin-2-one;2,3-dihydroxybutanedioic acid
CID 14129465
benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
CID 16919390
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 16919339
2-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-1,1,3,3-tetramethylguanidine
CID 99850668
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16919321
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898459
2-[(3S,4R)-1-benzyl-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide
CID 53239998

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide?
The IUPAC name of 2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide (CID 139763375) is 2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide is CNC(=O)CC1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide?
The InChIKey is KJZQXEFJGWKKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-15-13(17)7-12-8-14(18)16(10-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17).
What are the key properties of 2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide?
2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide has a molecular weight of 246.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide is sourced from PubChem (CID 139763375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).