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

C12H14N2O2 — CID 651502

IUPAC1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(N)=O)CC2=O)cc1
InChIInChI=1S/C12H14N2O2/c1-8-2-4-10(5-3-8)14-7-9(12(13)16)6-11(14)15/h2-5,9H,6-7H2,1H3,(H2,13,16)
InChIKeyMNAMYXIXVXGCKK-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.83
Rot. Bonds2

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

1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 651502) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID651502
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(N)=O)CC2=O)cc1
InChIInChI=1S/C12H14N2O2/c1-8-2-4-10(5-3-8)14-7-9(12(13)16)6-11(14)15/h2-5,9H,6-7H2,1H3,(H2,13,16)
InChIKeyMNAMYXIXVXGCKK-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

3-(4-Aminophenyl)-1-(1-pyrrolidinyl)-1-propanone
CID 847784
N-(4-Methylphenyl)succinimide
CID 75335
Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate
CID 2902946
1-(4-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2741827
1-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2844150
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2883505
N-(3-benzylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072556
N-([1,1'-Biphenyl]-3-yl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072557
N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 790557
N-cyclopropyl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3148502
N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 3156931
Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 577835

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 651502) is 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(N)=O)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MNAMYXIXVXGCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-2-4-10(5-3-8)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-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-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-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 651502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).