1-(2,3-dimethylphenyl)pyrrolidin-2-one

C12H15NO — CID 69199779

IUPAC1-(2,3-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2CCCC2=O)c1C
InChIInChI=1S/C12H15NO/c1-9-5-3-6-11(10(9)2)13-8-4-7-12(13)14/h3,5-6H,4,7-8H2,1-2H3
InChIKeyQSYLXESAKUDLBC-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.43
Rot. Bonds1

About 1-(2,3-dimethylphenyl)pyrrolidin-2-one

1-(2,3-dimethylphenyl)pyrrolidin-2-one (PubChem CID 69199779) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)pyrrolidin-2-one
PubChem CID69199779
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(2,3-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2CCCC2=O)c1C
InChIInChI=1S/C12H15NO/c1-9-5-3-6-11(10(9)2)13-8-4-7-12(13)14/h3,5-6H,4,7-8H2,1-2H3
InChIKeyQSYLXESAKUDLBC-UHFFFAOYSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,3-dimethylphenyl)-1,4-diazocan-5-one
CID 117015352
1-(3-iodo-2-methylphenyl)pyrrolidin-2-one
CID 130498002
1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one
CID 12833278
1-(2,3-dimethylphenyl)-1,4-diazepane-2,5-dione
CID 64958545
1-(5-amino-2,3-dimethylphenyl)pyrrolidin-2-one
CID 13062320
1-(4,5-dimethyl-3-pyridinyl)pyrrolidin-2-one
CID 171622272
1-(2-methylphenyl)azepane-2,4-dione
CID 139237469
1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
2,3-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140218
2-chloro-N'-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]ethanimidamide
CID 169366965
1-(3-chloro-2-methylphenyl)-1,5-diazocan-2-one
CID 117014427
1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one
CID 166609167

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,3-dimethylphenyl)pyrrolidin-2-one (CID 69199779) is 1-(2,3-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)pyrrolidin-2-one is Cc1cccc(N2CCCC2=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is QSYLXESAKUDLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-5-3-6-11(10(9)2)13-8-4-7-12(13)14/h3,5-6H,4,7-8H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)pyrrolidin-2-one?
1-(2,3-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 69199779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).