3-(2-methylphenyl)pyrrolidin-2-one

C11H13NO — CID 71758474

IUPAC3-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccccc1C1CCNC1=O
InChIInChI=1S/C11H13NO/c1-8-4-2-3-5-9(8)10-6-7-12-11(10)13/h2-5,10H,6-7H2,1H3,(H,12,13)
InChIKeyGSDLFZJWLBURKJ-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.60
Rot. Bonds1

About 3-(2-methylphenyl)pyrrolidin-2-one

3-(2-methylphenyl)pyrrolidin-2-one (PubChem CID 71758474) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-methylphenyl)pyrrolidin-2-one
PubChem CID71758474
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccccc1C1CCNC1=O
InChIInChI=1S/C11H13NO/c1-8-4-2-3-5-9(8)10-6-7-12-11(10)13/h2-5,10H,6-7H2,1H3,(H,12,13)
InChIKeyGSDLFZJWLBURKJ-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
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(4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one
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7-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
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3-[(2,6-dimethylphenyl)methyl]pyrrolidin-2-one
CID 70966416
(5R)-5-(2-methylphenyl)pyrrolidin-2-one
CID 124706826
4-(2-methylphenyl)thiolan-3-one
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5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
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3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82134395
3-(2-methylphenyl)-4-propanoylpiperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 3-(2-methylphenyl)pyrrolidin-2-one (CID 71758474) is 3-(2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-(2-methylphenyl)pyrrolidin-2-one is Cc1ccccc1C1CCNC1=O.
What is the InChIKey of 3-(2-methylphenyl)pyrrolidin-2-one?
The InChIKey is GSDLFZJWLBURKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-4-2-3-5-9(8)10-6-7-12-11(10)13/h2-5,10H,6-7H2,1H3,(H,12,13).
What are the key properties of 3-(2-methylphenyl)pyrrolidin-2-one?
3-(2-methylphenyl)pyrrolidin-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 71758474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).