N'-(1,1-dicyanoprop-1-en-2-yl)ethanimidamide

C7H8N4 — CID 55281579

IUPACN'-(1,1-dicyanoprop-1-en-2-yl)ethanimidamide
SMILESCC(/N=C(\C)N)=C(C#N)C#N
InChIInChI=1S/C7H8N4/c1-5(11-6(2)10)7(3-8)4-9/h1-2H3,(H2,10,11)
InChIKeyHLZYTBGKMYENLG-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.68
Rot. Bonds1

About N'-(1,1-dicyanoprop-1-en-2-yl)ethanimidamide

N'-(1,1-dicyanoprop-1-en-2-yl)ethanimidamide (PubChem CID 55281579) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is N'-(1,1-dicyanoprop-1-en-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(1,1-dicyanoprop-1-en-2-yl)ethanimidamide
PubChem CID55281579
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC NameN'-(1,1-dicyanoprop-1-en-2-yl)ethanimidamide
SMILESCC(/N=C(\C)N)=C(C#N)C#N
InChIInChI=1S/C7H8N4/c1-5(11-6(2)10)7(3-8)4-9/h1-2H3,(H2,10,11)
InChIKeyHLZYTBGKMYENLG-UHFFFAOYSA-N
XLogP0.68
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1,1-dicyanoprop-1-en-2-yl)ethanimidamide?
The IUPAC name of N'-(1,1-dicyanoprop-1-en-2-yl)ethanimidamide (CID 55281579) is N'-(1,1-dicyanoprop-1-en-2-yl)ethanimidamide.
What is the SMILES notation for N'-(1,1-dicyanoprop-1-en-2-yl)ethanimidamide?
The canonical SMILES for N'-(1,1-dicyanoprop-1-en-2-yl)ethanimidamide is CC(/N=C(\C)N)=C(C#N)C#N.
What is the InChIKey of N'-(1,1-dicyanoprop-1-en-2-yl)ethanimidamide?
The InChIKey is HLZYTBGKMYENLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-5(11-6(2)10)7(3-8)4-9/h1-2H3,(H2,10,11).
What are the key properties of N'-(1,1-dicyanoprop-1-en-2-yl)ethanimidamide?
N'-(1,1-dicyanoprop-1-en-2-yl)ethanimidamide has a molecular weight of 148.17 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1-dicyanoprop-1-en-2-yl)ethanimidamide is sourced from PubChem (CID 55281579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).