5-(4-methylbenzoyl)pyrrolidin-2-one

C12H13NO2 — CID 86062507

IUPAC5-(4-methylbenzoyl)pyrrolidin-2-one
SMILESCc1ccc(C(=O)C2CCC(=O)N2)cc1
InChIInChI=1S/C12H13NO2/c1-8-2-4-9(5-3-8)12(15)10-6-7-11(14)13-10/h2-5,10H,6-7H2,1H3,(H,13,14)
InChIKeyGRRSKEZBKKVADN-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.46
Rot. Bonds2

About 5-(4-methylbenzoyl)pyrrolidin-2-one

5-(4-methylbenzoyl)pyrrolidin-2-one (PubChem CID 86062507) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-(4-methylbenzoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-methylbenzoyl)pyrrolidin-2-one
PubChem CID86062507
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-(4-methylbenzoyl)pyrrolidin-2-one
SMILESCc1ccc(C(=O)C2CCC(=O)N2)cc1
InChIInChI=1S/C12H13NO2/c1-8-2-4-9(5-3-8)12(15)10-6-7-11(14)13-10/h2-5,10H,6-7H2,1H3,(H,13,14)
InChIKeyGRRSKEZBKKVADN-UHFFFAOYSA-N
XLogP1.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylbenzoyl)cyclopentan-1-one
CID 79639548
7-benzoylazepan-2-one
CID 70255305
N'-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide
CID 155813594
6-(4-butoxybenzoyl)piperidin-2-one
CID 54128984
(2R)-5-oxopyrrolidine-2-carbonyl iodide
CID 89494882
3-(4-methylbenzoyl)cyclohexane-1,2-dione
CID 104539655
4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide
CID 107529194
3-(4-methyl-N-(5-oxopyrrolidine-2-carbonyl)anilino)propanoic acid
CID 60844380
(2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 166390943
[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone
CID 12032685
(2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid
CID 76973407
5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110804076

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylbenzoyl)pyrrolidin-2-one?
The IUPAC name of 5-(4-methylbenzoyl)pyrrolidin-2-one (CID 86062507) is 5-(4-methylbenzoyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(4-methylbenzoyl)pyrrolidin-2-one?
The canonical SMILES for 5-(4-methylbenzoyl)pyrrolidin-2-one is Cc1ccc(C(=O)C2CCC(=O)N2)cc1.
What is the InChIKey of 5-(4-methylbenzoyl)pyrrolidin-2-one?
The InChIKey is GRRSKEZBKKVADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-2-4-9(5-3-8)12(15)10-6-7-11(14)13-10/h2-5,10H,6-7H2,1H3,(H,13,14).
What are the key properties of 5-(4-methylbenzoyl)pyrrolidin-2-one?
5-(4-methylbenzoyl)pyrrolidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylbenzoyl)pyrrolidin-2-one is sourced from PubChem (CID 86062507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).