pyrrol-2-one

C4H3NO — CID 14246795

IUPACpyrrol-2-one
SMILESO=C1C=CC=N1
InChIInChI=1S/C4H3NO/c6-4-2-1-3-5-4/h1-3H
InChIKeyVIXWGKYSYIBATJ-UHFFFAOYSA-N
MW81.07 g/mol
LogP0.15
Rot. Bonds

About pyrrol-2-one

pyrrol-2-one (PubChem CID 14246795) has the molecular formula C4H3NO and a molecular weight of 81.07 g/mol. Its IUPAC name is pyrrol-2-one.

Molecular Properties

Compound Namepyrrol-2-one
PubChem CID14246795
Molecular FormulaC4H3NO
Molecular Weight81.07 g/mol
Exact Mass81.02
IUPAC Namepyrrol-2-one
SMILESO=C1C=CC=N1
InChIInChI=1S/C4H3NO/c6-4-2-1-3-5-4/h1-3H
InChIKeyVIXWGKYSYIBATJ-UHFFFAOYSA-N
XLogP0.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.07
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pyrrol-2-one?
The IUPAC name of pyrrol-2-one (CID 14246795) is pyrrol-2-one.
What is the SMILES notation for pyrrol-2-one?
The canonical SMILES for pyrrol-2-one is O=C1C=CC=N1.
What is the InChIKey of pyrrol-2-one?
The InChIKey is VIXWGKYSYIBATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO/c6-4-2-1-3-5-4/h1-3H.
What are the key properties of pyrrol-2-one?
pyrrol-2-one has a molecular weight of 81.07 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrol-2-one is sourced from PubChem (CID 14246795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).