2-cyano-N'-ethenyl-3-iminobutanimidamide

C7H10N4 — CID 123474776

IUPAC2-cyano-N'-ethenyl-3-iminobutanimidamide
SMILES[H]/N=C(\C)C(C#N)/C(N)=N/C=C
InChIInChI=1S/C7H10N4/c1-3-11-7(10)6(4-8)5(2)9/h3,6,9H,1H2,2H3,(H2,10,11)/b9-5+
InChIKeyWVVVYXUEYFOWFH-WEVVVXLNSA-N
MW150.18 g/mol
LogP0.67
Rot. Bonds3

About 2-cyano-N'-ethenyl-3-iminobutanimidamide

2-cyano-N'-ethenyl-3-iminobutanimidamide (PubChem CID 123474776) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-cyano-N'-ethenyl-3-iminobutanimidamide.

Molecular Properties

Compound Name2-cyano-N'-ethenyl-3-iminobutanimidamide
PubChem CID123474776
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name2-cyano-N'-ethenyl-3-iminobutanimidamide
SMILES[H]/N=C(\C)C(C#N)/C(N)=N/C=C
InChIInChI=1S/C7H10N4/c1-3-11-7(10)6(4-8)5(2)9/h3,6,9H,1H2,2H3,(H2,10,11)/b9-5+
InChIKeyWVVVYXUEYFOWFH-WEVVVXLNSA-N
XLogP0.67
TPSA86.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-N'-ethenyl-2-methyl-3-(propan-2-ylidenehydrazinylidene)butanimidamide
CID 90934415

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N'-ethenyl-3-iminobutanimidamide?
The IUPAC name of 2-cyano-N'-ethenyl-3-iminobutanimidamide (CID 123474776) is 2-cyano-N'-ethenyl-3-iminobutanimidamide.
What is the SMILES notation for 2-cyano-N'-ethenyl-3-iminobutanimidamide?
The canonical SMILES for 2-cyano-N'-ethenyl-3-iminobutanimidamide is [H]/N=C(\C)C(C#N)/C(N)=N/C=C.
What is the InChIKey of 2-cyano-N'-ethenyl-3-iminobutanimidamide?
The InChIKey is WVVVYXUEYFOWFH-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H10N4/c1-3-11-7(10)6(4-8)5(2)9/h3,6,9H,1H2,2H3,(H2,10,11)/b9-5+.
What are the key properties of 2-cyano-N'-ethenyl-3-iminobutanimidamide?
2-cyano-N'-ethenyl-3-iminobutanimidamide has a molecular weight of 150.18 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N'-ethenyl-3-iminobutanimidamide is sourced from PubChem (CID 123474776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).