1-(1-ethenylpyrrol-3-yl)ethanone

C8H9NO — CID 10606786

IUPAC1-(1-ethenylpyrrol-3-yl)ethanone
SMILESC=Cn1ccc(C(C)=O)c1
InChIInChI=1S/C8H9NO/c1-3-9-5-4-8(6-9)7(2)10/h3-6H,1H2,2H3
InChIKeyNJLIQQMUHAKJAE-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.79
Rot. Bonds2

About 1-(1-ethenylpyrrol-3-yl)ethanone

1-(1-ethenylpyrrol-3-yl)ethanone (PubChem CID 10606786) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 1-(1-ethenylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethenylpyrrol-3-yl)ethanone
PubChem CID10606786
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name1-(1-ethenylpyrrol-3-yl)ethanone
SMILESC=Cn1ccc(C(C)=O)c1
InChIInChI=1S/C8H9NO/c1-3-9-5-4-8(6-9)7(2)10/h3-6H,1H2,2H3
InChIKeyNJLIQQMUHAKJAE-UHFFFAOYSA-N
XLogP1.79
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethenylpyrrol-3-yl)ethanone?
The IUPAC name of 1-(1-ethenylpyrrol-3-yl)ethanone (CID 10606786) is 1-(1-ethenylpyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(1-ethenylpyrrol-3-yl)ethanone?
The canonical SMILES for 1-(1-ethenylpyrrol-3-yl)ethanone is C=Cn1ccc(C(C)=O)c1.
What is the InChIKey of 1-(1-ethenylpyrrol-3-yl)ethanone?
The InChIKey is NJLIQQMUHAKJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-3-9-5-4-8(6-9)7(2)10/h3-6H,1H2,2H3.
What are the key properties of 1-(1-ethenylpyrrol-3-yl)ethanone?
1-(1-ethenylpyrrol-3-yl)ethanone has a molecular weight of 135.17 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethenylpyrrol-3-yl)ethanone is sourced from PubChem (CID 10606786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).