1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one

C13H17NO3 — CID 62018410

IUPAC1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(CO)cc1CN1CCCC1=O
InChIInChI=1S/C13H17NO3/c1-17-12-5-4-10(9-15)7-11(12)8-14-6-2-3-13(14)16/h4-5,7,15H,2-3,6,8-9H2,1H3
InChIKeyLGQRQJSLSSSLGT-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.31
Rot. Bonds4

About 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one

1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one (PubChem CID 62018410) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one
PubChem CID62018410
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(CO)cc1CN1CCCC1=O
InChIInChI=1S/C13H17NO3/c1-17-12-5-4-10(9-15)7-11(12)8-14-6-2-3-13(14)16/h4-5,7,15H,2-3,6,8-9H2,1H3
InChIKeyLGQRQJSLSSSLGT-UHFFFAOYSA-N
XLogP1.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 62019174
4-methoxy-3-[(2-oxoazepan-1-yl)methyl]benzaldehyde
CID 62024268
4-tert-butyl-1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one
CID 104512631
1-[(2-methoxy-5-nitrophenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 56773501
1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]azepan-2-one
CID 60860741
1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one
CID 58020328
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512610
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 62019696
[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol
CID 62017644
[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol
CID 62018768
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one
CID 80583236
1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
CID 82129052

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one (CID 62018410) is 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one is COc1ccc(CO)cc1CN1CCCC1=O.
What is the InChIKey of 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one?
The InChIKey is LGQRQJSLSSSLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-12-5-4-10(9-15)7-11(12)8-14-6-2-3-13(14)16/h4-5,7,15H,2-3,6,8-9H2,1H3.
What are the key properties of 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one?
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one has a molecular weight of 235.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 62018410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).