N-ethylprop-2-enimidoyl cyanide

C6H8N2 — CID 10582749

IUPACN-ethylprop-2-enimidoyl cyanide
SMILESC=C/C(C#N)=N/CC
InChIInChI=1S/C6H8N2/c1-3-6(5-7)8-4-2/h3H,1,4H2,2H3/b8-6-
InChIKeyZLEMYFFGZYOJFA-VURMDHGXSA-N
MW108.14 g/mol
LogP1.16
Rot. Bonds2

About N-ethylprop-2-enimidoyl cyanide

N-ethylprop-2-enimidoyl cyanide (PubChem CID 10582749) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is N-ethylprop-2-enimidoyl cyanide.

Molecular Properties

Compound NameN-ethylprop-2-enimidoyl cyanide
PubChem CID10582749
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC NameN-ethylprop-2-enimidoyl cyanide
SMILESC=C/C(C#N)=N/CC
InChIInChI=1S/C6H8N2/c1-3-6(5-7)8-4-2/h3H,1,4H2,2H3/b8-6-
InChIKeyZLEMYFFGZYOJFA-VURMDHGXSA-N
XLogP1.16
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylprop-2-enimidoyl cyanide?
The IUPAC name of N-ethylprop-2-enimidoyl cyanide (CID 10582749) is N-ethylprop-2-enimidoyl cyanide.
What is the SMILES notation for N-ethylprop-2-enimidoyl cyanide?
The canonical SMILES for N-ethylprop-2-enimidoyl cyanide is C=C/C(C#N)=N/CC.
What is the InChIKey of N-ethylprop-2-enimidoyl cyanide?
The InChIKey is ZLEMYFFGZYOJFA-VURMDHGXSA-N. The full InChI is InChI=1S/C6H8N2/c1-3-6(5-7)8-4-2/h3H,1,4H2,2H3/b8-6-.
What are the key properties of N-ethylprop-2-enimidoyl cyanide?
N-ethylprop-2-enimidoyl cyanide has a molecular weight of 108.14 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylprop-2-enimidoyl cyanide is sourced from PubChem (CID 10582749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).