3-methoxy-1H-azet-2-one

C4H5NO2 — CID 23198743

IUPAC3-methoxy-1H-azet-2-one
SMILESCOC1=CNC1=O
InChIInChI=1S/C4H5NO2/c1-7-3-2-5-4(3)6/h2H,1H3,(H,5,6)
InChIKeyZJARPWQXODCMMU-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.40
Rot. Bonds1

About 3-methoxy-1H-azet-2-one

3-methoxy-1H-azet-2-one (PubChem CID 23198743) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is 3-methoxy-1H-azet-2-one.

Molecular Properties

Compound Name3-methoxy-1H-azet-2-one
PubChem CID23198743
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name3-methoxy-1H-azet-2-one
SMILESCOC1=CNC1=O
InChIInChI=1S/C4H5NO2/c1-7-3-2-5-4(3)6/h2H,1H3,(H,5,6)
InChIKeyZJARPWQXODCMMU-UHFFFAOYSA-N
XLogP-0.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1H-azet-2-one?
The IUPAC name of 3-methoxy-1H-azet-2-one (CID 23198743) is 3-methoxy-1H-azet-2-one.
What is the SMILES notation for 3-methoxy-1H-azet-2-one?
The canonical SMILES for 3-methoxy-1H-azet-2-one is COC1=CNC1=O.
What is the InChIKey of 3-methoxy-1H-azet-2-one?
The InChIKey is ZJARPWQXODCMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c1-7-3-2-5-4(3)6/h2H,1H3,(H,5,6).
What are the key properties of 3-methoxy-1H-azet-2-one?
3-methoxy-1H-azet-2-one has a molecular weight of 99.09 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1H-azet-2-one is sourced from PubChem (CID 23198743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).