[(E)-2-amino-1,2-dicyanoethenyl]cyanamide

C5H3N5 — CID 10887952

IUPAC[(E)-2-amino-1,2-dicyanoethenyl]cyanamide
SMILESN#CN/C(C#N)=C(/N)C#N
InChIInChI=1S/C5H3N5/c6-1-4(9)5(2-7)10-3-8/h10H,9H2/b5-4+
InChIKeyGUTQUHGNJWHUHZ-SNAWJCMRSA-N
MW133.11 g/mol
LogP-0.73
Rot. Bonds1

About [(E)-2-amino-1,2-dicyanoethenyl]cyanamide

[(E)-2-amino-1,2-dicyanoethenyl]cyanamide (PubChem CID 10887952) has the molecular formula C5H3N5 and a molecular weight of 133.11 g/mol. Its IUPAC name is [(E)-2-amino-1,2-dicyanoethenyl]cyanamide.

Molecular Properties

Compound Name[(E)-2-amino-1,2-dicyanoethenyl]cyanamide
PubChem CID10887952
Molecular FormulaC5H3N5
Molecular Weight133.11 g/mol
Exact Mass133.04
IUPAC Name[(E)-2-amino-1,2-dicyanoethenyl]cyanamide
SMILESN#CN/C(C#N)=C(/N)C#N
InChIInChI=1S/C5H3N5/c6-1-4(9)5(2-7)10-3-8/h10H,9H2/b5-4+
InChIKeyGUTQUHGNJWHUHZ-SNAWJCMRSA-N
XLogP-0.73
TPSA109.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.11
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'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 [(E)-2-amino-1,2-dicyanoethenyl]cyanamide?
The IUPAC name of [(E)-2-amino-1,2-dicyanoethenyl]cyanamide (CID 10887952) is [(E)-2-amino-1,2-dicyanoethenyl]cyanamide.
What is the SMILES notation for [(E)-2-amino-1,2-dicyanoethenyl]cyanamide?
The canonical SMILES for [(E)-2-amino-1,2-dicyanoethenyl]cyanamide is N#CN/C(C#N)=C(/N)C#N.
What is the InChIKey of [(E)-2-amino-1,2-dicyanoethenyl]cyanamide?
The InChIKey is GUTQUHGNJWHUHZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H3N5/c6-1-4(9)5(2-7)10-3-8/h10H,9H2/b5-4+.
What are the key properties of [(E)-2-amino-1,2-dicyanoethenyl]cyanamide?
[(E)-2-amino-1,2-dicyanoethenyl]cyanamide has a molecular weight of 133.11 g/mol, XLogP of -0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-amino-1,2-dicyanoethenyl]cyanamide is sourced from PubChem (CID 10887952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).