1-(2,3,4-trichloropyrrol-1-yl)ethanone

C6H4Cl3NO — CID 137440849

IUPAC1-(2,3,4-trichloropyrrol-1-yl)ethanone
SMILESCC(=O)n1cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H4Cl3NO/c1-3(11)10-2-4(7)5(8)6(10)9/h2H,1H3
InChIKeyJZOJPBYMPYORKA-UHFFFAOYSA-N
MW212.46 g/mol
LogP3.11
Rot. Bonds

About 1-(2,3,4-trichloropyrrol-1-yl)ethanone

1-(2,3,4-trichloropyrrol-1-yl)ethanone (PubChem CID 137440849) has the molecular formula C6H4Cl3NO and a molecular weight of 212.46 g/mol. Its IUPAC name is 1-(2,3,4-trichloropyrrol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3,4-trichloropyrrol-1-yl)ethanone
PubChem CID137440849
Molecular FormulaC6H4Cl3NO
Molecular Weight212.46 g/mol
Exact Mass210.94
IUPAC Name1-(2,3,4-trichloropyrrol-1-yl)ethanone
SMILESCC(=O)n1cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H4Cl3NO/c1-3(11)10-2-4(7)5(8)6(10)9/h2H,1H3
InChIKeyJZOJPBYMPYORKA-UHFFFAOYSA-N
XLogP3.11
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.46
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-amino-2-methylimidazol-1-yl)ethanone
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2,4,6-trichlorobenzene-1,3-dicarbonyl chloride
CID 101290942
2,4-dimethylimidazole-1-carbonyl chloride
CID 87805057
1-(5-chloro-3-hydroxyindol-1-yl)ethanone
CID 12825917
1-[2-(1-chloroethenyl)pyrrol-1-yl]ethanone
CID 170722955
2,4-dichloro-3-methylbenzoyl chloride
CID 13235952
2,6-dichloro-4-methylbenzoyl chloride
CID 15065184
N-(3,5-dichloro-4-oxo-1-pyridinyl)acetamide
CID 57147996
1-(2-chloro-5-methylsulfinylphenyl)ethanone
CID 23464958
2-(1-acetyl-5-chloroindol-3-yl)acetic acid
CID 175397718
1-acetyl-5-fluoropyrimidin-2-one
CID 59306217

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trichloropyrrol-1-yl)ethanone?
The IUPAC name of 1-(2,3,4-trichloropyrrol-1-yl)ethanone (CID 137440849) is 1-(2,3,4-trichloropyrrol-1-yl)ethanone.
What is the SMILES notation for 1-(2,3,4-trichloropyrrol-1-yl)ethanone?
The canonical SMILES for 1-(2,3,4-trichloropyrrol-1-yl)ethanone is CC(=O)n1cc(Cl)c(Cl)c1Cl.
What is the InChIKey of 1-(2,3,4-trichloropyrrol-1-yl)ethanone?
The InChIKey is JZOJPBYMPYORKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3NO/c1-3(11)10-2-4(7)5(8)6(10)9/h2H,1H3.
What are the key properties of 1-(2,3,4-trichloropyrrol-1-yl)ethanone?
1-(2,3,4-trichloropyrrol-1-yl)ethanone has a molecular weight of 212.46 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trichloropyrrol-1-yl)ethanone is sourced from PubChem (CID 137440849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).