oxoazanium cyanide

CH2N2O — CID 172710890

IUPACoxoazanium cyanide
SMILES[C-]#N.[NH2+]=O
InChIInChI=1S/CN.H2NO/c2*1-2/h;1H2/q-1;+1
InChIKeyYFCCBIKXWKIOCU-UHFFFAOYSA-N
MW58.04 g/mol
LogP-1.39
Rot. Bonds

About oxoazanium cyanide

oxoazanium cyanide (PubChem CID 172710890) has the molecular formula CH2N2O and a molecular weight of 58.04 g/mol. Its IUPAC name is oxoazanium cyanide.

Molecular Properties

Compound Nameoxoazanium cyanide
PubChem CID172710890
Molecular FormulaCH2N2O
Molecular Weight58.04 g/mol
Exact Mass58.02
IUPAC Nameoxoazanium cyanide
SMILES[C-]#N.[NH2+]=O
InChIInChI=1S/CN.H2NO/c2*1-2/h;1H2/q-1;+1
InChIKeyYFCCBIKXWKIOCU-UHFFFAOYSA-N
XLogP-1.39
TPSA66.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50058.04
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

oxoazanium
CID 3588700
formaldehyde;tungsten;dicyanide
CID 175609175
iron(4+);nitroxyl anion;pentacyanide
CID 140862411
zinc bis((15N)azanylidyne(113C)methane)
CID 71309451
chromium cyanide
CID 172741704
chromium(3+) tricyanide
CID 14818425
palladium(2+) tetracyanide
CID 12049713
cyanide hydrate
CID 71367363
dipotassium;tetracyanide
CID 172816022
thallium(1+) cyanide
CID 22251319
iridium tricyanide
CID 148548482
cadmium(2+) tetracyanide
CID 23278875

Frequently Asked Questions

What is the IUPAC name of oxoazanium cyanide?
The IUPAC name of oxoazanium cyanide (CID 172710890) is oxoazanium cyanide.
What is the SMILES notation for oxoazanium cyanide?
The canonical SMILES for oxoazanium cyanide is [C-]#N.[NH2+]=O.
What is the InChIKey of oxoazanium cyanide?
The InChIKey is YFCCBIKXWKIOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/CN.H2NO/c2*1-2/h;1H2/q-1;+1.
What are the key properties of oxoazanium cyanide?
oxoazanium cyanide has a molecular weight of 58.04 g/mol, XLogP of -1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxoazanium cyanide is sourced from PubChem (CID 172710890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).