N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C13H16N2O2 — CID 2844369

IUPACN-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C13H16N2O2/c1-9-3-5-11(6-4-9)15-8-10(7-12(15)16)13(17)14-2/h3-6,10H,7-8H2,1-2H3,(H,14,17)
InChIKeyGHFNWUSSYHRTDE-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.09
Rot. Bonds2

About N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2844369) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2844369
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C13H16N2O2/c1-9-3-5-11(6-4-9)15-8-10(7-12(15)16)13(17)14-2/h3-6,10H,7-8H2,1-2H3,(H,14,17)
InChIKeyGHFNWUSSYHRTDE-UHFFFAOYSA-N
XLogP1.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2844369) is N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GHFNWUSSYHRTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-3-5-11(6-4-9)15-8-10(7-12(15)16)13(17)14-2/h3-6,10H,7-8H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2844369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).