(1E)-N-(carbamoylamino)ethanimidoyl cyanide

C4H6N4O — CID 55281069

IUPAC(1E)-N-(carbamoylamino)ethanimidoyl cyanide
SMILESC/C(C#N)=N\NC(N)=O
InChIInChI=1S/C4H6N4O/c1-3(2-5)7-8-4(6)9/h1H3,(H3,6,8,9)/b7-3+
InChIKeyCGWXWGLJECEHEC-XVNBXDOJSA-N
MW126.12 g/mol
LogP-0.45
Rot. Bonds1

About (1E)-N-(carbamoylamino)ethanimidoyl cyanide

(1E)-N-(carbamoylamino)ethanimidoyl cyanide (PubChem CID 55281069) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is (1E)-N-(carbamoylamino)ethanimidoyl cyanide.

Molecular Properties

Compound Name(1E)-N-(carbamoylamino)ethanimidoyl cyanide
PubChem CID55281069
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name(1E)-N-(carbamoylamino)ethanimidoyl cyanide
SMILESC/C(C#N)=N\NC(N)=O
InChIInChI=1S/C4H6N4O/c1-3(2-5)7-8-4(6)9/h1H3,(H3,6,8,9)/b7-3+
InChIKeyCGWXWGLJECEHEC-XVNBXDOJSA-N
XLogP-0.45
TPSA91.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-N-(carbamoylamino)ethanimidoyl cyanide?
The IUPAC name of (1E)-N-(carbamoylamino)ethanimidoyl cyanide (CID 55281069) is (1E)-N-(carbamoylamino)ethanimidoyl cyanide.
What is the SMILES notation for (1E)-N-(carbamoylamino)ethanimidoyl cyanide?
The canonical SMILES for (1E)-N-(carbamoylamino)ethanimidoyl cyanide is C/C(C#N)=N\NC(N)=O.
What is the InChIKey of (1E)-N-(carbamoylamino)ethanimidoyl cyanide?
The InChIKey is CGWXWGLJECEHEC-XVNBXDOJSA-N. The full InChI is InChI=1S/C4H6N4O/c1-3(2-5)7-8-4(6)9/h1H3,(H3,6,8,9)/b7-3+.
What are the key properties of (1E)-N-(carbamoylamino)ethanimidoyl cyanide?
(1E)-N-(carbamoylamino)ethanimidoyl cyanide has a molecular weight of 126.12 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-(carbamoylamino)ethanimidoyl cyanide is sourced from PubChem (CID 55281069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).