(E)-azetidin-1-yl-oxido-oxidoiminoazanium

C3H6N3O2- — CID 136970265

IUPAC(E)-azetidin-1-yl-oxido-oxidoiminoazanium
SMILES[O-]/N=[N+](/[O-])N1CCC1
InChIInChI=1S/C3H7N3O2/c7-4-6(8)5-2-1-3-5/h7H,1-3H2/p-1/b6-4+
InChIKeyLNAAFGHXMWUGAZ-GQCTYLIASA-M
MW116.10 g/mol
LogP0.07
Rot. Bonds1

About (E)-azetidin-1-yl-oxido-oxidoiminoazanium

(E)-azetidin-1-yl-oxido-oxidoiminoazanium (PubChem CID 136970265) has the molecular formula C3H6N3O2- and a molecular weight of 116.10 g/mol. Its IUPAC name is (E)-azetidin-1-yl-oxido-oxidoiminoazanium.

Molecular Properties

Compound Name(E)-azetidin-1-yl-oxido-oxidoiminoazanium
PubChem CID136970265
Molecular FormulaC3H6N3O2-
Molecular Weight116.10 g/mol
Exact Mass116.05
IUPAC Name(E)-azetidin-1-yl-oxido-oxidoiminoazanium
SMILES[O-]/N=[N+](/[O-])N1CCC1
InChIInChI=1S/C3H7N3O2/c7-4-6(8)5-2-1-3-5/h7H,1-3H2/p-1/b6-4+
InChIKeyLNAAFGHXMWUGAZ-GQCTYLIASA-M
XLogP0.07
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.10
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-azetidin-1-yl-oxido-oxidoiminoazanium?
The IUPAC name of (E)-azetidin-1-yl-oxido-oxidoiminoazanium (CID 136970265) is (E)-azetidin-1-yl-oxido-oxidoiminoazanium.
What is the SMILES notation for (E)-azetidin-1-yl-oxido-oxidoiminoazanium?
The canonical SMILES for (E)-azetidin-1-yl-oxido-oxidoiminoazanium is [O-]/N=[N+](/[O-])N1CCC1.
What is the InChIKey of (E)-azetidin-1-yl-oxido-oxidoiminoazanium?
The InChIKey is LNAAFGHXMWUGAZ-GQCTYLIASA-M. The full InChI is InChI=1S/C3H7N3O2/c7-4-6(8)5-2-1-3-5/h7H,1-3H2/p-1/b6-4+.
What are the key properties of (E)-azetidin-1-yl-oxido-oxidoiminoazanium?
(E)-azetidin-1-yl-oxido-oxidoiminoazanium has a molecular weight of 116.10 g/mol, XLogP of 0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-azetidin-1-yl-oxido-oxidoiminoazanium is sourced from PubChem (CID 136970265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).