2-[(2-methylphenyl)methyl]pyrrolidin-3-one

C12H15NO — CID 83829267

IUPAC2-[(2-methylphenyl)methyl]pyrrolidin-3-one
SMILESCc1ccccc1CC1NCCC1=O
InChIInChI=1S/C12H15NO/c1-9-4-2-3-5-10(9)8-11-12(14)6-7-13-11/h2-5,11,13H,6-8H2,1H3
InChIKeyVPRYBGHZSGZVFZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.47
Rot. Bonds2

About 2-[(2-methylphenyl)methyl]pyrrolidin-3-one

2-[(2-methylphenyl)methyl]pyrrolidin-3-one (PubChem CID 83829267) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]pyrrolidin-3-one.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]pyrrolidin-3-one
PubChem CID83829267
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-[(2-methylphenyl)methyl]pyrrolidin-3-one
SMILESCc1ccccc1CC1NCCC1=O
InChIInChI=1S/C12H15NO/c1-9-4-2-3-5-10(9)8-11-12(14)6-7-13-11/h2-5,11,13H,6-8H2,1H3
InChIKeyVPRYBGHZSGZVFZ-UHFFFAOYSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
2-[(4-bromophenyl)methyl]pyrrolidin-3-one
CID 83843927
2-(pyridin-4-ylmethyl)pyrrolidin-3-one
CID 83827595
4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 117158894
(3S,5R)-3-[(2-methylphenyl)methyl]-5-phenylpiperazin-2-one
CID 135364713
2-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-one
CID 83841846
2-[(2-methylphenyl)methyl]-1,3-oxazinane
CID 117226029
2-(2,2-dimethylpropyl)pyrrolidin-3-one
CID 83826483
(1S,5R)-5-[(2-methylphenyl)methyl]-6-oxabicyclo[3.1.0]hexan-2-one
CID 102452321
(3aS,6aS)-4-[(2-methylphenyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 155875079
1-methyl-2-[(2-methylcyclobutyl)methyl]benzene
CID 163743067
1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene
CID 64909251

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]pyrrolidin-3-one?
The IUPAC name of 2-[(2-methylphenyl)methyl]pyrrolidin-3-one (CID 83829267) is 2-[(2-methylphenyl)methyl]pyrrolidin-3-one.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]pyrrolidin-3-one?
The canonical SMILES for 2-[(2-methylphenyl)methyl]pyrrolidin-3-one is Cc1ccccc1CC1NCCC1=O.
What is the InChIKey of 2-[(2-methylphenyl)methyl]pyrrolidin-3-one?
The InChIKey is VPRYBGHZSGZVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-4-2-3-5-10(9)8-11-12(14)6-7-13-11/h2-5,11,13H,6-8H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methyl]pyrrolidin-3-one?
2-[(2-methylphenyl)methyl]pyrrolidin-3-one has a molecular weight of 189.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]pyrrolidin-3-one is sourced from PubChem (CID 83829267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).