potassium nitroso(propan-2-yl)azanide

C3H7KN2O — CID 24840570

IUPACpotassium nitroso(propan-2-yl)azanide
SMILESCC(C)[N-]N=O.[K+]
InChIInChI=1S/C3H8N2O.K/c1-3(2)4-5-6;/h3H,1-2H3,(H,4,6);/q;+1/p-1
InChIKeySMCVOXWWHLECOB-UHFFFAOYSA-M
MW126.20 g/mol
LogP-1.55
Rot. Bonds2

About potassium nitroso(propan-2-yl)azanide

potassium nitroso(propan-2-yl)azanide (PubChem CID 24840570) has the molecular formula C3H7KN2O and a molecular weight of 126.20 g/mol. Its IUPAC name is potassium nitroso(propan-2-yl)azanide.

Molecular Properties

Compound Namepotassium nitroso(propan-2-yl)azanide
PubChem CID24840570
Molecular FormulaC3H7KN2O
Molecular Weight126.20 g/mol
Exact Mass126.02
IUPAC Namepotassium nitroso(propan-2-yl)azanide
SMILESCC(C)[N-]N=O.[K+]
InChIInChI=1S/C3H8N2O.K/c1-3(2)4-5-6;/h3H,1-2H3,(H,4,6);/q;+1/p-1
InChIKeySMCVOXWWHLECOB-UHFFFAOYSA-M
XLogP-1.55
TPSA43.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 5-1.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

potassium nitroso(trideuteriomethyl)azanide
CID 23685783
CID 173497678
CID 173497678
1-nitrosoethanethiol
CID 173133459
1-nitrosopropan-2-amine
CID 22057579
bis(di(propan-2-yl)azanide);molybdenum(2+)
CID 141200548
silver nitro(propan-2-yl)azanide
CID 134883450
butan-2-amine;nitrous acid
CID 87072377
3-methyl-2,4-dinitrosopentan-3-ol
CID 89221350
lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602
lithium;hydride;3-methylbutan-2-one
CID 173095274
barium(2+);bis(2-methylpropanoate)
CID 23219604
potassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride
CID 174967495

Frequently Asked Questions

What is the IUPAC name of potassium nitroso(propan-2-yl)azanide?
The IUPAC name of potassium nitroso(propan-2-yl)azanide (CID 24840570) is potassium nitroso(propan-2-yl)azanide.
What is the SMILES notation for potassium nitroso(propan-2-yl)azanide?
The canonical SMILES for potassium nitroso(propan-2-yl)azanide is CC(C)[N-]N=O.[K+].
What is the InChIKey of potassium nitroso(propan-2-yl)azanide?
The InChIKey is SMCVOXWWHLECOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8N2O.K/c1-3(2)4-5-6;/h3H,1-2H3,(H,4,6);/q;+1/p-1.
What are the key properties of potassium nitroso(propan-2-yl)azanide?
potassium nitroso(propan-2-yl)azanide has a molecular weight of 126.20 g/mol, XLogP of -1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium nitroso(propan-2-yl)azanide is sourced from PubChem (CID 24840570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).