2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide

C13H16N2O3 — CID 168662246

IUPAC2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1N1CC(CO)CC1=O
InChIInChI=1S/C13H16N2O3/c1-14-13(18)10-4-2-3-5-11(10)15-7-9(8-16)6-12(15)17/h2-5,9,16H,6-8H2,1H3,(H,14,18)
InChIKeyRFMPFSITVNXGBZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.39
Rot. Bonds3

About 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide

2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide (PubChem CID 168662246) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide
PubChem CID168662246
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1N1CC(CO)CC1=O
InChIInChI=1S/C13H16N2O3/c1-14-13(18)10-4-2-3-5-11(10)15-7-9(8-16)6-12(15)17/h2-5,9,16H,6-8H2,1H3,(H,14,18)
InChIKeyRFMPFSITVNXGBZ-UHFFFAOYSA-N
XLogP0.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide
CID 168503974
N-methyl-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]benzamide
CID 168669971
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide
CID 168663727
3-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N,2-dimethylbenzamide
CID 168504361
1-(3-acetyl-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662057
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide
CID 168659058
4-(hydroxymethyl)-1-(2-methylsulfonylphenyl)pyrrolidin-2-one
CID 168662518
1-[2-(2-hydroxyethyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663882
5-bromo-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoic acid
CID 168663637
ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate
CID 168662122
2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide
CID 168699033
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
CID 168656242

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide?
The IUPAC name of 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide (CID 168662246) is 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide?
The canonical SMILES for 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide is CNC(=O)c1ccccc1N1CC(CO)CC1=O.
What is the InChIKey of 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide?
The InChIKey is RFMPFSITVNXGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-14-13(18)10-4-2-3-5-11(10)15-7-9(8-16)6-12(15)17/h2-5,9,16H,6-8H2,1H3,(H,14,18).
What are the key properties of 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide?
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide has a molecular weight of 248.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide is sourced from PubChem (CID 168662246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).