1-[2-(1-chloroethenyl)pyrrol-1-yl]ethanone

C8H8ClNO — CID 170722955

IUPAC1-[2-(1-chloroethenyl)pyrrol-1-yl]ethanone
SMILESC=C(Cl)c1cccn1C(C)=O
InChIInChI=1S/C8H8ClNO/c1-6(9)8-4-3-5-10(8)7(2)11/h3-5H,1H2,2H3
InChIKeyVIAIIHOKRBFMCT-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.36
Rot. Bonds1

About 1-[2-(1-chloroethenyl)pyrrol-1-yl]ethanone

1-[2-(1-chloroethenyl)pyrrol-1-yl]ethanone (PubChem CID 170722955) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 1-[2-(1-chloroethenyl)pyrrol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-chloroethenyl)pyrrol-1-yl]ethanone
PubChem CID170722955
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name1-[2-(1-chloroethenyl)pyrrol-1-yl]ethanone
SMILESC=C(Cl)c1cccn1C(C)=O
InChIInChI=1S/C8H8ClNO/c1-6(9)8-4-3-5-10(8)7(2)11/h3-5H,1H2,2H3
InChIKeyVIAIIHOKRBFMCT-UHFFFAOYSA-N
XLogP2.36
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-chloroethenyl)pyrrol-1-yl]ethanone?
The IUPAC name of 1-[2-(1-chloroethenyl)pyrrol-1-yl]ethanone (CID 170722955) is 1-[2-(1-chloroethenyl)pyrrol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(1-chloroethenyl)pyrrol-1-yl]ethanone?
The canonical SMILES for 1-[2-(1-chloroethenyl)pyrrol-1-yl]ethanone is C=C(Cl)c1cccn1C(C)=O.
What is the InChIKey of 1-[2-(1-chloroethenyl)pyrrol-1-yl]ethanone?
The InChIKey is VIAIIHOKRBFMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-6(9)8-4-3-5-10(8)7(2)11/h3-5H,1H2,2H3.
What are the key properties of 1-[2-(1-chloroethenyl)pyrrol-1-yl]ethanone?
1-[2-(1-chloroethenyl)pyrrol-1-yl]ethanone has a molecular weight of 169.61 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-chloroethenyl)pyrrol-1-yl]ethanone is sourced from PubChem (CID 170722955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).