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

C14H17NO3 — CID 62019174

IUPAC1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)=O)cc1CN1CCCC1=O
InChIInChI=1S/C14H17NO3/c1-10(16)11-5-6-13(18-2)12(8-11)9-15-7-3-4-14(15)17/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyRHQJFSTXYGDMQA-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.02
Rot. Bonds4

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

1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 62019174) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID62019174
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)=O)cc1CN1CCCC1=O
InChIInChI=1S/C14H17NO3/c1-10(16)11-5-6-13(18-2)12(8-11)9-15-7-3-4-14(15)17/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyRHQJFSTXYGDMQA-UHFFFAOYSA-N
XLogP2.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(5-acetyl-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-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one
CID 62018410
1-[(2-methoxy-5-nitrophenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 56773501
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144
4-methoxy-3-[(2-oxoazepan-1-yl)methyl]benzaldehyde
CID 62024268
1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]azepan-2-one
CID 60860741
2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43024576
1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179153
1-[4-methoxy-3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 63248941
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
CID 103714072

Frequently Asked Questions

What is the IUPAC name of 1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one (CID 62019174) is 1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one is COc1ccc(C(C)=O)cc1CN1CCCC1=O.
What is the InChIKey of 1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is RHQJFSTXYGDMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(16)11-5-6-13(18-2)12(8-11)9-15-7-3-4-14(15)17/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one?
1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 62019174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).