3-ethenylpyrrol-2-one

C6H5NO — CID 67761985

IUPAC3-ethenylpyrrol-2-one
SMILESC=CC1=CC=NC1=O
InChIInChI=1S/C6H5NO/c1-2-5-3-4-7-6(5)8/h2-4H,1H2
InChIKeyIGMMZJKLORIGMY-UHFFFAOYSA-N
MW107.11 g/mol
LogP0.71
Rot. Bonds1

About 3-ethenylpyrrol-2-one

3-ethenylpyrrol-2-one (PubChem CID 67761985) has the molecular formula C6H5NO and a molecular weight of 107.11 g/mol. Its IUPAC name is 3-ethenylpyrrol-2-one.

Molecular Properties

Compound Name3-ethenylpyrrol-2-one
PubChem CID67761985
Molecular FormulaC6H5NO
Molecular Weight107.11 g/mol
Exact Mass107.04
IUPAC Name3-ethenylpyrrol-2-one
SMILESC=CC1=CC=NC1=O
InChIInChI=1S/C6H5NO/c1-2-5-3-4-7-6(5)8/h2-4H,1H2
InChIKeyIGMMZJKLORIGMY-UHFFFAOYSA-N
XLogP0.71
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylpyrrol-2-one?
The IUPAC name of 3-ethenylpyrrol-2-one (CID 67761985) is 3-ethenylpyrrol-2-one.
What is the SMILES notation for 3-ethenylpyrrol-2-one?
The canonical SMILES for 3-ethenylpyrrol-2-one is C=CC1=CC=NC1=O.
What is the InChIKey of 3-ethenylpyrrol-2-one?
The InChIKey is IGMMZJKLORIGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO/c1-2-5-3-4-7-6(5)8/h2-4H,1H2.
What are the key properties of 3-ethenylpyrrol-2-one?
3-ethenylpyrrol-2-one has a molecular weight of 107.11 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylpyrrol-2-one is sourced from PubChem (CID 67761985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).