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

C14H15NO2 — CID 14640948

IUPAC1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
SMILESCOc1ccc(-c2c[nH]c(C)c2C(C)=O)cc1
InChIInChI=1S/C14H15NO2/c1-9-14(10(2)16)13(8-15-9)11-4-6-12(17-3)7-5-11/h4-8,15H,1-3H3
InChIKeyCEMVBUWAEGGDLJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.20
Rot. Bonds3

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

1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone (PubChem CID 14640948) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
PubChem CID14640948
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
SMILESCOc1ccc(-c2c[nH]c(C)c2C(C)=O)cc1
InChIInChI=1S/C14H15NO2/c1-9-14(10(2)16)13(8-15-9)11-4-6-12(17-3)7-5-11/h4-8,15H,1-3H3
InChIKeyCEMVBUWAEGGDLJ-UHFFFAOYSA-N
XLogP3.20
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

hexane-2,4-dione;1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
CID 154689077
methyl 4-(4-cyanophenyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 23030189
1-[6-(4-methoxyphenyl)-2-methylpyrylium-3-yl]ethanone perchlorate
CID 134909296
methyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate
CID 10946734
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
1-[1-hexyl-4-(4-methoxyphenyl)-2-methylpyrrol-3-yl]ethanone
CID 45142314
1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone
CID 45142068
ethyl 4-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 43826349
methyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate
CID 15428719
4-(4-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 82089759
1-[2-(4-fluorophenyl)-5-methoxyphenyl]ethanone
CID 175647071
4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 21479706

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone (CID 14640948) is 1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone is COc1ccc(-c2c[nH]c(C)c2C(C)=O)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone?
The InChIKey is CEMVBUWAEGGDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-14(10(2)16)13(8-15-9)11-4-6-12(17-3)7-5-11/h4-8,15H,1-3H3.
What are the key properties of 1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone?
1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone has a molecular weight of 229.28 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 14640948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).