cyano(ethenyl)cyanamide

C4H3N3 — CID 175381322

IUPACcyano(ethenyl)cyanamide
SMILESC=CN(C#N)C#N
InChIInChI=1S/C4H3N3/c1-2-7(3-5)4-6/h2H,1H2
InChIKeyQXNUQMFCRCNDPZ-UHFFFAOYSA-N
MW93.09 g/mol
LogP0.39
Rot. Bonds1

About cyano(ethenyl)cyanamide

cyano(ethenyl)cyanamide (PubChem CID 175381322) has the molecular formula C4H3N3 and a molecular weight of 93.09 g/mol. Its IUPAC name is cyano(ethenyl)cyanamide.

Molecular Properties

Compound Namecyano(ethenyl)cyanamide
PubChem CID175381322
Molecular FormulaC4H3N3
Molecular Weight93.09 g/mol
Exact Mass93.03
IUPAC Namecyano(ethenyl)cyanamide
SMILESC=CN(C#N)C#N
InChIInChI=1S/C4H3N3/c1-2-7(3-5)4-6/h2H,1H2
InChIKeyQXNUQMFCRCNDPZ-UHFFFAOYSA-N
XLogP0.39
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.09
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyano(ethenyl)cyanamide?
The IUPAC name of cyano(ethenyl)cyanamide (CID 175381322) is cyano(ethenyl)cyanamide.
What is the SMILES notation for cyano(ethenyl)cyanamide?
The canonical SMILES for cyano(ethenyl)cyanamide is C=CN(C#N)C#N.
What is the InChIKey of cyano(ethenyl)cyanamide?
The InChIKey is QXNUQMFCRCNDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3/c1-2-7(3-5)4-6/h2H,1H2.
What are the key properties of cyano(ethenyl)cyanamide?
cyano(ethenyl)cyanamide has a molecular weight of 93.09 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyano(ethenyl)cyanamide is sourced from PubChem (CID 175381322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).