cyanide hydrate

CH2NO- — CID 71367363

IUPACcyanide hydrate
SMILESO.[C-]#N
InChIInChI=1S/CN.H2O/c1-2;/h;1H2/q-1;
InChIKeyIGABGQDRDPWCGR-UHFFFAOYSA-N
MW44.03 g/mol
LogP-0.73
Rot. Bonds

About cyanide hydrate

cyanide hydrate (PubChem CID 71367363) has the molecular formula CH2NO- and a molecular weight of 44.03 g/mol. Its IUPAC name is cyanide hydrate.

Molecular Properties

Compound Namecyanide hydrate
PubChem CID71367363
Molecular FormulaCH2NO-
Molecular Weight44.03 g/mol
Exact Mass44.01
IUPAC Namecyanide hydrate
SMILESO.[C-]#N
InChIInChI=1S/CN.H2O/c1-2;/h;1H2/q-1;
InChIKeyIGABGQDRDPWCGR-UHFFFAOYSA-N
XLogP-0.73
TPSA55.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50044.03
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

iron(6+);hexacyanide;hydrate
CID 88713439
magnesium;platinum(2+);tetracyanide;hydrate
CID 90470470
trisodium;azane;iron(2+);pentacyanide;trihydrate
CID 25016380
dipotassium;tetracyanide
CID 172816022
palladium(2+) tetracyanide
CID 12049713
chromium(3+) tricyanide
CID 14818425
chromium cyanide
CID 172741704
zinc bis((15N)azanylidyne(113C)methane)
CID 71309451
thallium(1+) cyanide
CID 22251319
iridium tricyanide
CID 148548482
cadmium(2+) tetracyanide
CID 23278875
nickel(2+) hexacyanide
CID 51346380

Frequently Asked Questions

What is the IUPAC name of cyanide hydrate?
The IUPAC name of cyanide hydrate (CID 71367363) is cyanide hydrate.
What is the SMILES notation for cyanide hydrate?
The canonical SMILES for cyanide hydrate is O.[C-]#N.
What is the InChIKey of cyanide hydrate?
The InChIKey is IGABGQDRDPWCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/CN.H2O/c1-2;/h;1H2/q-1;.
What are the key properties of cyanide hydrate?
cyanide hydrate has a molecular weight of 44.03 g/mol, XLogP of -0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyanide hydrate is sourced from PubChem (CID 71367363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).