5,5-dimethyl-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-one

C15H19NO2 — CID 115269061

IUPAC5,5-dimethyl-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-one
SMILESCc1cccc(CC(=O)N2CC(=O)CC2(C)C)c1
InChIInChI=1S/C15H19NO2/c1-11-5-4-6-12(7-11)8-14(18)16-10-13(17)9-15(16,2)3/h4-7H,8-10H2,1-3H3
InChIKeyYIGMYDLWDPLIJK-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.12
Rot. Bonds2

About 5,5-dimethyl-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-one

5,5-dimethyl-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-one (PubChem CID 115269061) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5,5-dimethyl-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-one.

Molecular Properties

Compound Name5,5-dimethyl-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-one
PubChem CID115269061
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5,5-dimethyl-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-one
SMILESCc1cccc(CC(=O)N2CC(=O)CC2(C)C)c1
InChIInChI=1S/C15H19NO2/c1-11-5-4-6-12(7-11)8-14(18)16-10-13(17)9-15(16,2)3/h4-7H,8-10H2,1-3H3
InChIKeyYIGMYDLWDPLIJK-UHFFFAOYSA-N
XLogP2.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-1-[3-(3-methylphenyl)propanoyl]pyrrolidin-3-one
CID 115275583
4-[2-(3-methylphenyl)acetyl]piperazin-2-one
CID 55126787
azanium 2-(3-methylphenyl)acetate
CID 141323779
1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 115304471
1-[2-(3-methylphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106977323
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-(1-aminocyclobutyl)-2-(3-methylphenyl)ethanone
CID 116598493
1-(1-adamantyl)-2-(3-methylphenyl)ethanone
CID 62389784
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 63125200
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 66291636

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-one?
The IUPAC name of 5,5-dimethyl-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-one (CID 115269061) is 5,5-dimethyl-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-one.
What is the SMILES notation for 5,5-dimethyl-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-one?
The canonical SMILES for 5,5-dimethyl-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-one is Cc1cccc(CC(=O)N2CC(=O)CC2(C)C)c1.
What is the InChIKey of 5,5-dimethyl-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-one?
The InChIKey is YIGMYDLWDPLIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-5-4-6-12(7-11)8-14(18)16-10-13(17)9-15(16,2)3/h4-7H,8-10H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-one?
5,5-dimethyl-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-one has a molecular weight of 245.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-one is sourced from PubChem (CID 115269061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).