bis(ethenyl)cyanamide

C5H6N2 — CID 15606468

IUPACbis(ethenyl)cyanamide
SMILESC=CN(C#N)C=C
InChIInChI=1S/C5H6N2/c1-3-7(4-2)5-6/h3-4H,1-2H2
InChIKeyLCISCTMXVSXKFJ-UHFFFAOYSA-N
MW94.12 g/mol
LogP1.06
Rot. Bonds2

About bis(ethenyl)cyanamide

bis(ethenyl)cyanamide (PubChem CID 15606468) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is bis(ethenyl)cyanamide.

Molecular Properties

Compound Namebis(ethenyl)cyanamide
PubChem CID15606468
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Namebis(ethenyl)cyanamide
SMILESC=CN(C#N)C=C
InChIInChI=1S/C5H6N2/c1-3-7(4-2)5-6/h3-4H,1-2H2
InChIKeyLCISCTMXVSXKFJ-UHFFFAOYSA-N
XLogP1.06
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 bis(ethenyl)cyanamide?
The IUPAC name of bis(ethenyl)cyanamide (CID 15606468) is bis(ethenyl)cyanamide.
What is the SMILES notation for bis(ethenyl)cyanamide?
The canonical SMILES for bis(ethenyl)cyanamide is C=CN(C#N)C=C.
What is the InChIKey of bis(ethenyl)cyanamide?
The InChIKey is LCISCTMXVSXKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c1-3-7(4-2)5-6/h3-4H,1-2H2.
What are the key properties of bis(ethenyl)cyanamide?
bis(ethenyl)cyanamide has a molecular weight of 94.12 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethenyl)cyanamide is sourced from PubChem (CID 15606468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).