3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one

C12H13NO3 — CID 70040357

IUPAC3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one
SMILESCOc1ccccc1CN1CC(O)=CC1=O
InChIInChI=1S/C12H13NO3/c1-16-11-5-3-2-4-9(11)7-13-8-10(14)6-12(13)15/h2-6,14H,7-8H2,1H3
InChIKeyOZFIQBJCGRALPC-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.48
Rot. Bonds3

About 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one

3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one (PubChem CID 70040357) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one
PubChem CID70040357
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one
SMILESCOc1ccccc1CN1CC(O)=CC1=O
InChIInChI=1S/C12H13NO3/c1-16-11-5-3-2-4-9(11)7-13-8-10(14)6-12(13)15/h2-6,14H,7-8H2,1H3
InChIKeyOZFIQBJCGRALPC-UHFFFAOYSA-N
XLogP1.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-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

3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 115071395
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one
CID 23053179
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64878854
5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 75365946
2-[(2-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one
CID 131886198
2-[(2-methoxyphenyl)methyl]-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinoline-1,4-dione
CID 3828179
4-[(2-methoxyphenyl)methyl]-2-methyl-5H-1,4-benzoxazepin-3-one
CID 53335578
(1R,2S,6S,7S)-4-[(2-methoxyphenyl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6544546
7-iodo-2-[(2-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 79781443
6-(2-hydroxyethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one
CID 115067735
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714138

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one?
The IUPAC name of 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one (CID 70040357) is 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one is COc1ccccc1CN1CC(O)=CC1=O.
What is the InChIKey of 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one?
The InChIKey is OZFIQBJCGRALPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-16-11-5-3-2-4-9(11)7-13-8-10(14)6-12(13)15/h2-6,14H,7-8H2,1H3.
What are the key properties of 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one?
3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one has a molecular weight of 219.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one is sourced from PubChem (CID 70040357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).