sodium N-oxidopropan-2-imine

C3H6NNaO — CID 23680170

IUPACsodium N-oxidopropan-2-imine
SMILESCC(C)=N[O-].[Na+]
InChIInChI=1S/C3H7NO.Na/c1-3(2)4-5;/h5H,1-2H3;/q;+1/p-1
InChIKeyCSVSCECTZOBDCR-UHFFFAOYSA-M
MW95.08 g/mol
LogP-2.03
Rot. Bonds

About sodium N-oxidopropan-2-imine

sodium N-oxidopropan-2-imine (PubChem CID 23680170) has the molecular formula C3H6NNaO and a molecular weight of 95.08 g/mol. Its IUPAC name is sodium N-oxidopropan-2-imine.

Molecular Properties

Compound Namesodium N-oxidopropan-2-imine
PubChem CID23680170
Molecular FormulaC3H6NNaO
Molecular Weight95.08 g/mol
Exact Mass95.03
IUPAC Namesodium N-oxidopropan-2-imine
SMILESCC(C)=N[O-].[Na+]
InChIInChI=1S/C3H7NO.Na/c1-3(2)4-5;/h5H,1-2H3;/q;+1/p-1
InChIKeyCSVSCECTZOBDCR-UHFFFAOYSA-M
XLogP-2.03
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.08
LogP ≤ 5-2.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sodium N-hydroxyethanimidate
CID 102059901
nonasodium;nonaacetate
CID 173443222
sodium N-propan-2-ylidenehydroxylamine
CID 19068199
disodium;sulfanide;acetate
CID 173135140
sodium;acetate;trihydrate
CID 23665404
sodium;acetate;trihydrofluoride
CID 172761892
trisodium;acetate;carbonate
CID 169079974
potassium;sodium;diacetate
CID 21470705
sodium;alumane;acetate
CID 173418045
sodium;hydron;triacetate
CID 173121634
tetrasodium;tetraacetate;hydrate
CID 141360802
sodium;methylsulfinylmethane;propan-2-one;acetate
CID 161163635

Frequently Asked Questions

What is the IUPAC name of sodium N-oxidopropan-2-imine?
The IUPAC name of sodium N-oxidopropan-2-imine (CID 23680170) is sodium N-oxidopropan-2-imine.
What is the SMILES notation for sodium N-oxidopropan-2-imine?
The canonical SMILES for sodium N-oxidopropan-2-imine is CC(C)=N[O-].[Na+].
What is the InChIKey of sodium N-oxidopropan-2-imine?
The InChIKey is CSVSCECTZOBDCR-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO.Na/c1-3(2)4-5;/h5H,1-2H3;/q;+1/p-1.
What are the key properties of sodium N-oxidopropan-2-imine?
sodium N-oxidopropan-2-imine has a molecular weight of 95.08 g/mol, XLogP of -2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-oxidopropan-2-imine is sourced from PubChem (CID 23680170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).