sodium N-(azetidin-1-yl)-N-oxidonitrous amide

C3H6N3NaO2 — CID 23676996

IUPACsodium N-(azetidin-1-yl)-N-oxidonitrous amide
SMILESO=NN([O-])N1CCC1.[Na+]
InChIInChI=1S/C3H6N3O2.Na/c7-4-6(8)5-2-1-3-5;/h1-3H2;/q-1;+1
InChIKeyDPIJTFYMMJBRTN-UHFFFAOYSA-N
MW139.09 g/mol
LogP-2.91
Rot. Bonds2

About sodium N-(azetidin-1-yl)-N-oxidonitrous amide

sodium N-(azetidin-1-yl)-N-oxidonitrous amide (PubChem CID 23676996) has the molecular formula C3H6N3NaO2 and a molecular weight of 139.09 g/mol. Its IUPAC name is sodium N-(azetidin-1-yl)-N-oxidonitrous amide.

Molecular Properties

Compound Namesodium N-(azetidin-1-yl)-N-oxidonitrous amide
PubChem CID23676996
Molecular FormulaC3H6N3NaO2
Molecular Weight139.09 g/mol
Exact Mass139.04
IUPAC Namesodium N-(azetidin-1-yl)-N-oxidonitrous amide
SMILESO=NN([O-])N1CCC1.[Na+]
InChIInChI=1S/C3H6N3O2.Na/c7-4-6(8)5-2-1-3-5;/h1-3H2;/q-1;+1
InChIKeyDPIJTFYMMJBRTN-UHFFFAOYSA-N
XLogP-2.91
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.09
LogP ≤ 5-2.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium N-(azetidin-1-yl)-N-oxidonitrous amide?
The IUPAC name of sodium N-(azetidin-1-yl)-N-oxidonitrous amide (CID 23676996) is sodium N-(azetidin-1-yl)-N-oxidonitrous amide.
What is the SMILES notation for sodium N-(azetidin-1-yl)-N-oxidonitrous amide?
The canonical SMILES for sodium N-(azetidin-1-yl)-N-oxidonitrous amide is O=NN([O-])N1CCC1.[Na+].
What is the InChIKey of sodium N-(azetidin-1-yl)-N-oxidonitrous amide?
The InChIKey is DPIJTFYMMJBRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N3O2.Na/c7-4-6(8)5-2-1-3-5;/h1-3H2;/q-1;+1.
What are the key properties of sodium N-(azetidin-1-yl)-N-oxidonitrous amide?
sodium N-(azetidin-1-yl)-N-oxidonitrous amide has a molecular weight of 139.09 g/mol, XLogP of -2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(azetidin-1-yl)-N-oxidonitrous amide is sourced from PubChem (CID 23676996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).