1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C12H14N2O2 — CID 17120547

IUPAC1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(N)=O)CC2=O)c1
InChIInChI=1S/C12H14N2O2/c1-8-3-2-4-10(5-8)14-7-9(12(13)16)6-11(14)15/h2-5,9H,6-7H2,1H3,(H2,13,16)
InChIKeyJPIRRIFUSGHANH-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.83
Rot. Bonds2

About 1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17120547) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17120547
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(N)=O)CC2=O)c1
InChIInChI=1S/C12H14N2O2/c1-8-3-2-4-10(5-8)14-7-9(12(13)16)6-11(14)15/h2-5,9H,6-7H2,1H3,(H2,13,16)
InChIKeyJPIRRIFUSGHANH-UHFFFAOYSA-N
XLogP0.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076150
(3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892198
1-[3-(methylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696359
1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17120609
(3S)-N-(3,5-dimethylphenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017598
(2-methoxyphenyl) (3R)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057233
1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698374
(2,5-dimethylphenyl) (3S)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057232
N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120559
1-(3-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17120633
5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide
CID 168698348

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 17120547) is 1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(N)=O)CC2=O)c1.
What is the InChIKey of 1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JPIRRIFUSGHANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-3-2-4-10(5-8)14-7-9(12(13)16)6-11(14)15/h2-5,9H,6-7H2,1H3,(H2,13,16).
What are the key properties of 1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17120547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).