4-(aminooxymethyl)azetidin-2-one

C4H8N2O2 — CID 70461296

IUPAC4-(aminooxymethyl)azetidin-2-one
SMILESNOCC1CC(=O)N1
InChIInChI=1S/C4H8N2O2/c5-8-2-3-1-4(7)6-3/h3H,1-2,5H2,(H,6,7)
InChIKeyNJRFMZUMSPFIQH-UHFFFAOYSA-N
MW116.12 g/mol
LogP-1.23
Rot. Bonds2

About 4-(aminooxymethyl)azetidin-2-one

4-(aminooxymethyl)azetidin-2-one (PubChem CID 70461296) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 4-(aminooxymethyl)azetidin-2-one.

Molecular Properties

Compound Name4-(aminooxymethyl)azetidin-2-one
PubChem CID70461296
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name4-(aminooxymethyl)azetidin-2-one
SMILESNOCC1CC(=O)N1
InChIInChI=1S/C4H8N2O2/c5-8-2-3-1-4(7)6-3/h3H,1-2,5H2,(H,6,7)
InChIKeyNJRFMZUMSPFIQH-UHFFFAOYSA-N
XLogP-1.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aminooxymethyl)azetidin-2-one?
The IUPAC name of 4-(aminooxymethyl)azetidin-2-one (CID 70461296) is 4-(aminooxymethyl)azetidin-2-one.
What is the SMILES notation for 4-(aminooxymethyl)azetidin-2-one?
The canonical SMILES for 4-(aminooxymethyl)azetidin-2-one is NOCC1CC(=O)N1.
What is the InChIKey of 4-(aminooxymethyl)azetidin-2-one?
The InChIKey is NJRFMZUMSPFIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c5-8-2-3-1-4(7)6-3/h3H,1-2,5H2,(H,6,7).
What are the key properties of 4-(aminooxymethyl)azetidin-2-one?
4-(aminooxymethyl)azetidin-2-one has a molecular weight of 116.12 g/mol, XLogP of -1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminooxymethyl)azetidin-2-one is sourced from PubChem (CID 70461296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).