4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one

C19H21NO2 — CID 168661723

IUPAC4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one
SMILESCc1ccc(C(c2ccccc2)N2CC(CO)CC2=O)cc1
InChIInChI=1S/C19H21NO2/c1-14-7-9-17(10-8-14)19(16-5-3-2-4-6-16)20-12-15(13-21)11-18(20)22/h2-10,15,19,21H,11-13H2,1H3
InChIKeyNEJKTNYCJSUNKW-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.93
Rot. Bonds4

About 4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one

4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one (PubChem CID 168661723) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one
PubChem CID168661723
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one
SMILESCc1ccc(C(c2ccccc2)N2CC(CO)CC2=O)cc1
InChIInChI=1S/C19H21NO2/c1-14-7-9-17(10-8-14)19(16-5-3-2-4-6-16)20-12-15(13-21)11-18(20)22/h2-10,15,19,21H,11-13H2,1H3
InChIKeyNEJKTNYCJSUNKW-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672570
1-[fluoro(phenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 139653065
4-(hydroxymethyl)-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-one
CID 168661728
(3S)-1-benzhydryl-5-oxopyrrolidine-3-carboxylic acid
CID 735290
4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 68806012
4-(hydroxymethyl)-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 163594189
2-(3-fluorophenyl)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661738
(2S,3R)-2-hydroxy-3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-phenylbutanoic acid
CID 168661551
(4S)-4-(bromomethyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 24813930
2-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661735
S-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl] ethanethioate
CID 168665932
4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one
CID 168661593

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one (CID 168661723) is 4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one is Cc1ccc(C(c2ccccc2)N2CC(CO)CC2=O)cc1.
What is the InChIKey of 4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one?
The InChIKey is NEJKTNYCJSUNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-7-9-17(10-8-14)19(16-5-3-2-4-6-16)20-12-15(13-21)11-18(20)22/h2-10,15,19,21H,11-13H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one?
4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one has a molecular weight of 295.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one is sourced from PubChem (CID 168661723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).