hydroxycyanamide

CH2N2O — CID 22316477

IUPAChydroxycyanamide
SMILESN#CNO
InChIInChI=1S/CH2N2O/c2-1-3-4/h3-4H
InChIKeyROPLCSFPUPWHGJ-UHFFFAOYSA-N
MW58.04 g/mol
LogP-0.55
Rot. Bonds

About hydroxycyanamide

hydroxycyanamide (PubChem CID 22316477) has the molecular formula CH2N2O and a molecular weight of 58.04 g/mol. Its IUPAC name is hydroxycyanamide.

Molecular Properties

Compound Namehydroxycyanamide
PubChem CID22316477
Molecular FormulaCH2N2O
Molecular Weight58.04 g/mol
Exact Mass58.02
IUPAC Namehydroxycyanamide
SMILESN#CNO
InChIInChI=1S/CH2N2O/c2-1-3-4/h3-4H
InChIKeyROPLCSFPUPWHGJ-UHFFFAOYSA-N
XLogP-0.55
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50058.04
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(hydroxyamino)cyanamide
CID 151958223
azonous acid;hydrate
CID 173024545
cyanocyanamide;sulfane
CID 87898901
[(Z)-1,2-dicyano-2-(cyanoamino)ethenyl]cyanamide
CID 132595102
oxalonitrile;hydrobromide
CID 86604310
cyanic acid
CID 540
carbononitridic bromide
CID 160583865
krypton;oxalonitrile
CID 158797974
bis(oxalonitrile);hydrochloride
CID 88841544
2-amino-N-cyanopropanamide
CID 79205051
1-aminoethenylcyanamide
CID 131531225
cyanic acid;vanadium
CID 173176163

Frequently Asked Questions

What is the IUPAC name of hydroxycyanamide?
The IUPAC name of hydroxycyanamide (CID 22316477) is hydroxycyanamide.
What is the SMILES notation for hydroxycyanamide?
The canonical SMILES for hydroxycyanamide is N#CNO.
What is the InChIKey of hydroxycyanamide?
The InChIKey is ROPLCSFPUPWHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N2O/c2-1-3-4/h3-4H.
What are the key properties of hydroxycyanamide?
hydroxycyanamide has a molecular weight of 58.04 g/mol, XLogP of -0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxycyanamide is sourced from PubChem (CID 22316477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).