3H-azet-2-one

C3H3NO — CID 12853312

IUPAC3H-azet-2-one
SMILESO=C1CC=N1
InChIInChI=1S/C3H3NO/c5-3-1-2-4-3/h2H,1H2
InChIKeyCKLSOJRSXNQGDN-UHFFFAOYSA-N
MW69.06 g/mol
LogP-0.01
Rot. Bonds

About 3H-azet-2-one

3H-azet-2-one (PubChem CID 12853312) has the molecular formula C3H3NO and a molecular weight of 69.06 g/mol. Its IUPAC name is 3H-azet-2-one.

Molecular Properties

Compound Name3H-azet-2-one
PubChem CID12853312
Molecular FormulaC3H3NO
Molecular Weight69.06 g/mol
Exact Mass69.02
IUPAC Name3H-azet-2-one
SMILESO=C1CC=N1
InChIInChI=1S/C3H3NO/c5-3-1-2-4-3/h2H,1H2
InChIKeyCKLSOJRSXNQGDN-UHFFFAOYSA-N
XLogP-0.01
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.06
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3H-azet-2-one?
The IUPAC name of 3H-azet-2-one (CID 12853312) is 3H-azet-2-one.
What is the SMILES notation for 3H-azet-2-one?
The canonical SMILES for 3H-azet-2-one is O=C1CC=N1.
What is the InChIKey of 3H-azet-2-one?
The InChIKey is CKLSOJRSXNQGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO/c5-3-1-2-4-3/h2H,1H2.
What are the key properties of 3H-azet-2-one?
3H-azet-2-one has a molecular weight of 69.06 g/mol, XLogP of -0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-azet-2-one is sourced from PubChem (CID 12853312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).