1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one

C14H19NO2 — CID 106900848

IUPAC1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCCc1ccc(CN2CC(CO)CC2=O)cc1
InChIInChI=1S/C14H19NO2/c1-2-11-3-5-12(6-4-11)8-15-9-13(10-16)7-14(15)17/h3-6,13,16H,2,7-10H2,1H3
InChIKeyNDVJUIRQLGLIGA-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.59
Rot. Bonds4

About 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one

1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 106900848) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID106900848
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCCc1ccc(CN2CC(CO)CC2=O)cc1
InChIInChI=1S/C14H19NO2/c1-2-11-3-5-12(6-4-11)8-15-9-13(10-16)7-14(15)17/h3-6,13,16H,2,7-10H2,1H3
InChIKeyNDVJUIRQLGLIGA-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one
CID 168663170
N-[4-[[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide
CID 168662043
1-[(3,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 13422557
1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one
CID 104510978
1-[(4-chloro-2-methylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 23326524
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663160
4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one
CID 168663176
S-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667330
1-[(2,3-dichlorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663225
(4R)-4-[3-(hydroxymethyl)azetidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 97352310
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672882
1-[[4-(aminomethyl)phenyl]methyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671137

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one (CID 106900848) is 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one is CCc1ccc(CN2CC(CO)CC2=O)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is NDVJUIRQLGLIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-11-3-5-12(6-4-11)8-15-9-13(10-16)7-14(15)17/h3-6,13,16H,2,7-10H2,1H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one?
1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 106900848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).