(4R)-4-(4-acetyl-2-methylphenyl)pyrrolidin-2-one

C13H15NO2 — CID 124634493

IUPAC(4R)-4-(4-acetyl-2-methylphenyl)pyrrolidin-2-one
SMILESCC(=O)c1ccc([C@@H]2CNC(=O)C2)c(C)c1
InChIInChI=1S/C13H15NO2/c1-8-5-10(9(2)15)3-4-12(8)11-6-13(16)14-7-11/h3-5,11H,6-7H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyKWDMQACBXKRHMB-NSHDSACASA-N
MW217.27 g/mol
LogP1.80
Rot. Bonds2

About (4R)-4-(4-acetyl-2-methylphenyl)pyrrolidin-2-one

(4R)-4-(4-acetyl-2-methylphenyl)pyrrolidin-2-one (PubChem CID 124634493) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (4R)-4-(4-acetyl-2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-acetyl-2-methylphenyl)pyrrolidin-2-one
PubChem CID124634493
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(4R)-4-(4-acetyl-2-methylphenyl)pyrrolidin-2-one
SMILESCC(=O)c1ccc([C@@H]2CNC(=O)C2)c(C)c1
InChIInChI=1S/C13H15NO2/c1-8-5-10(9(2)15)3-4-12(8)11-6-13(16)14-7-11/h3-5,11H,6-7H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyKWDMQACBXKRHMB-NSHDSACASA-N
XLogP1.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-acetylphenyl)pyrrolidin-2-one
CID 53417765
4-(4-acetyl-2-fluorophenyl)piperidin-2-one
CID 53417743
4-(5-oxopyrrolidin-3-yl)benzoic acid
CID 82609571
1-(10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-trien-4-yl)ethanone
CID 11424461
(4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one
CID 124634504
4-(4-amino-3-methylphenyl)pyrrolidin-2-one
CID 53417806
(4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one
CID 124634608
4-(3-hydroxyphenyl)pyrrolidin-2-one
CID 23345041
1-(4-acetyl-3-methylphenyl)ethanone;1-(4-acetylphenyl)ethanone
CID 54481190
4-(2,3-dimethoxyphenyl)pyrrolidin-2-one
CID 66106301
(4R)-4-(2-methoxyphenyl)pyrrolidin-2-one
CID 15895393
2-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]cyclopentene-1-carboxamide
CID 164641385

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-acetyl-2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(4-acetyl-2-methylphenyl)pyrrolidin-2-one (CID 124634493) is (4R)-4-(4-acetyl-2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(4-acetyl-2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(4-acetyl-2-methylphenyl)pyrrolidin-2-one is CC(=O)c1ccc([C@@H]2CNC(=O)C2)c(C)c1.
What is the InChIKey of (4R)-4-(4-acetyl-2-methylphenyl)pyrrolidin-2-one?
The InChIKey is KWDMQACBXKRHMB-NSHDSACASA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-5-10(9(2)15)3-4-12(8)11-6-13(16)14-7-11/h3-5,11H,6-7H2,1-2H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (4R)-4-(4-acetyl-2-methylphenyl)pyrrolidin-2-one?
(4R)-4-(4-acetyl-2-methylphenyl)pyrrolidin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-acetyl-2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 124634493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).