1-ethenyl-2H-pyrrol-5-one

C6H7NO — CID 57280799

IUPAC1-ethenyl-2H-pyrrol-5-one
SMILESC=CN1CC=CC1=O
InChIInChI=1S/C6H7NO/c1-2-7-5-3-4-6(7)8/h2-4H,1,5H2
InChIKeyPSHDBGWJPXLXFS-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.53
Rot. Bonds1

About 1-ethenyl-2H-pyrrol-5-one

1-ethenyl-2H-pyrrol-5-one (PubChem CID 57280799) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 1-ethenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-ethenyl-2H-pyrrol-5-one
PubChem CID57280799
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name1-ethenyl-2H-pyrrol-5-one
SMILESC=CN1CC=CC1=O
InChIInChI=1S/C6H7NO/c1-2-7-5-3-4-6(7)8/h2-4H,1,5H2
InChIKeyPSHDBGWJPXLXFS-UHFFFAOYSA-N
XLogP0.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2H-pyrrol-5-one?
The IUPAC name of 1-ethenyl-2H-pyrrol-5-one (CID 57280799) is 1-ethenyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-ethenyl-2H-pyrrol-5-one?
The canonical SMILES for 1-ethenyl-2H-pyrrol-5-one is C=CN1CC=CC1=O.
What is the InChIKey of 1-ethenyl-2H-pyrrol-5-one?
The InChIKey is PSHDBGWJPXLXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-2-7-5-3-4-6(7)8/h2-4H,1,5H2.
What are the key properties of 1-ethenyl-2H-pyrrol-5-one?
1-ethenyl-2H-pyrrol-5-one has a molecular weight of 109.13 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2H-pyrrol-5-one is sourced from PubChem (CID 57280799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).