N-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide

C12H14N2O2 — CID 71380614

IUPACN-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC2=O)c1
InChIInChI=1S/C12H14N2O2/c1-9-4-2-5-10(8-9)13-12(16)14-7-3-6-11(14)15/h2,4-5,8H,3,6-7H2,1H3,(H,13,16)
InChIKeyXPJQVFXTNOCAEG-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.15
Rot. Bonds1

About N-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide

N-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide (PubChem CID 71380614) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide
PubChem CID71380614
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC2=O)c1
InChIInChI=1S/C12H14N2O2/c1-9-4-2-5-10(8-9)13-12(16)14-7-3-6-11(14)15/h2,4-5,8H,3,6-7H2,1H3,(H,13,16)
InChIKeyXPJQVFXTNOCAEG-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 71675462
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270346
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
(2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate
CID 88553951
N-(3-methylphenyl)-3-oxo-1,4-diazepane-1-carboxamide
CID 62896707
N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24535918
N-(3-methylphenyl)acetamide
CID 10843
methyl 3-(3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
CID 78030797
N-(3-methylphenyl)-1-(2-oxoazetidin-1-yl)cyclohexane-1-carboxamide
CID 691768
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide
CID 23139882

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide (CID 71380614) is N-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide is Cc1cccc(NC(=O)N2CCCC2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide?
The InChIKey is XPJQVFXTNOCAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-4-2-5-10(8-9)13-12(16)14-7-3-6-11(14)15/h2,4-5,8H,3,6-7H2,1H3,(H,13,16).
What are the key properties of N-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide?
N-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide is sourced from PubChem (CID 71380614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).