1-[4-(4-methoxyphenyl)-1,2,5-trimethylpyrrol-3-yl]ethanone

C16H19NO2 — CID 1201626

IUPAC1-[4-(4-methoxyphenyl)-1,2,5-trimethylpyrrol-3-yl]ethanone
SMILESCOc1ccc(-c2c(C(C)=O)c(C)n(C)c2C)cc1
InChIInChI=1S/C16H19NO2/c1-10-15(12(3)18)16(11(2)17(10)4)13-6-8-14(19-5)9-7-13/h6-9H,1-5H3
InChIKeyGUESBSHBFFFZAM-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.52
Rot. Bonds3

About 1-[4-(4-methoxyphenyl)-1,2,5-trimethylpyrrol-3-yl]ethanone

1-[4-(4-methoxyphenyl)-1,2,5-trimethylpyrrol-3-yl]ethanone (PubChem CID 1201626) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-1,2,5-trimethylpyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-1,2,5-trimethylpyrrol-3-yl]ethanone
PubChem CID1201626
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-[4-(4-methoxyphenyl)-1,2,5-trimethylpyrrol-3-yl]ethanone
SMILESCOc1ccc(-c2c(C(C)=O)c(C)n(C)c2C)cc1
InChIInChI=1S/C16H19NO2/c1-10-15(12(3)18)16(11(2)17(10)4)13-6-8-14(19-5)9-7-13/h6-9H,1-5H3
InChIKeyGUESBSHBFFFZAM-UHFFFAOYSA-N
XLogP3.52
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-1,2,5-trimethylpyrrol-3-yl]ethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)-1,2,5-trimethylpyrrol-3-yl]ethanone (CID 1201626) is 1-[4-(4-methoxyphenyl)-1,2,5-trimethylpyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-1,2,5-trimethylpyrrol-3-yl]ethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-1,2,5-trimethylpyrrol-3-yl]ethanone is COc1ccc(-c2c(C(C)=O)c(C)n(C)c2C)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-1,2,5-trimethylpyrrol-3-yl]ethanone?
The InChIKey is GUESBSHBFFFZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10-15(12(3)18)16(11(2)17(10)4)13-6-8-14(19-5)9-7-13/h6-9H,1-5H3.
What are the key properties of 1-[4-(4-methoxyphenyl)-1,2,5-trimethylpyrrol-3-yl]ethanone?
1-[4-(4-methoxyphenyl)-1,2,5-trimethylpyrrol-3-yl]ethanone has a molecular weight of 257.33 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-1,2,5-trimethylpyrrol-3-yl]ethanone is sourced from PubChem (CID 1201626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).