1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone

C15H17NO2 — CID 79106081

IUPAC1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone
SMILESCOc1ccc(CCn2ccc(C(C)=O)c2)cc1
InChIInChI=1S/C15H17NO2/c1-12(17)14-8-10-16(11-14)9-7-13-3-5-15(18-2)6-4-13/h3-6,8,10-11H,7,9H2,1-2H3
InChIKeyFNACTQDJYLCMKM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.94
Rot. Bonds5

About 1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone

1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone (PubChem CID 79106081) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone
PubChem CID79106081
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone
SMILESCOc1ccc(CCn2ccc(C(C)=O)c2)cc1
InChIInChI=1S/C15H17NO2/c1-12(17)14-8-10-16(11-14)9-7-13-3-5-15(18-2)6-4-13/h3-6,8,10-11H,7,9H2,1-2H3
InChIKeyFNACTQDJYLCMKM-UHFFFAOYSA-N
XLogP2.94
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone 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

cyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol
CID 79104504
N-[[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405569
cyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone
CID 79108495
1-[1-[(4-aminophenyl)methyl]pyrrol-3-yl]ethanone
CID 84750947
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
[1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol
CID 102913068
1-[1-[(4-methoxy-3-nitrophenyl)methyl]pyrrol-3-yl]ethanone
CID 79107568
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid
CID 65446393
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone (CID 79106081) is 1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone is COc1ccc(CCn2ccc(C(C)=O)c2)cc1.
What is the InChIKey of 1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone?
The InChIKey is FNACTQDJYLCMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-12(17)14-8-10-16(11-14)9-7-13-3-5-15(18-2)6-4-13/h3-6,8,10-11H,7,9H2,1-2H3.
What are the key properties of 1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone?
1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone has a molecular weight of 243.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone is sourced from PubChem (CID 79106081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).