1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone

C15H21NO3 — CID 116917076

IUPAC1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone
SMILESCOc1ccc(C(=O)CC2CCNC2)c(OC)c1C
InChIInChI=1S/C15H21NO3/c1-10-14(18-2)5-4-12(15(10)19-3)13(17)8-11-6-7-16-9-11/h4-5,11,16H,6-9H2,1-3H3
InChIKeyPTWFXWQTGGKJMV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.19
Rot. Bonds5

About 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone

1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone (PubChem CID 116917076) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone
PubChem CID116917076
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone
SMILESCOc1ccc(C(=O)CC2CCNC2)c(OC)c1C
InChIInChI=1S/C15H21NO3/c1-10-14(18-2)5-4-12(15(10)19-3)13(17)8-11-6-7-16-9-11/h4-5,11,16H,6-9H2,1-3H3
InChIKeyPTWFXWQTGGKJMV-UHFFFAOYSA-N
XLogP2.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone 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

4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271837
1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone
CID 116583525
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208814
1-(3-bromo-4-methoxyphenyl)-2-pyrrolidin-3-ylethanone
CID 116917050
1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116917060
1-(2,4-dimethoxy-3-methylphenyl)-3,3-dimethylbutan-1-one
CID 95461337
1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone
CID 116564241
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116936143
1-(3-bromo-2,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-1-one
CID 103524254
2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535878
1-(4-fluoro-2-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116583575
1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone
CID 114669849

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone?
The IUPAC name of 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone (CID 116917076) is 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone.
What is the SMILES notation for 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone?
The canonical SMILES for 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone is COc1ccc(C(=O)CC2CCNC2)c(OC)c1C.
What is the InChIKey of 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone?
The InChIKey is PTWFXWQTGGKJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-14(18-2)5-4-12(15(10)19-3)13(17)8-11-6-7-16-9-11/h4-5,11,16H,6-9H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone?
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone has a molecular weight of 263.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone is sourced from PubChem (CID 116917076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).