N-methylprop-2-enimidoyl cyanide

C5H6N2 — CID 123631909

IUPACN-methylprop-2-enimidoyl cyanide
SMILESC=C/C(C#N)=N/C
InChIInChI=1S/C5H6N2/c1-3-5(4-6)7-2/h3H,1H2,2H3/b7-5-
InChIKeyXHQVWJQIUZPYJN-ALCCZGGFSA-N
MW94.12 g/mol
LogP0.77
Rot. Bonds1

About N-methylprop-2-enimidoyl cyanide

N-methylprop-2-enimidoyl cyanide (PubChem CID 123631909) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is N-methylprop-2-enimidoyl cyanide.

Molecular Properties

Compound NameN-methylprop-2-enimidoyl cyanide
PubChem CID123631909
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC NameN-methylprop-2-enimidoyl cyanide
SMILESC=C/C(C#N)=N/C
InChIInChI=1S/C5H6N2/c1-3-5(4-6)7-2/h3H,1H2,2H3/b7-5-
InChIKeyXHQVWJQIUZPYJN-ALCCZGGFSA-N
XLogP0.77
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 50.77
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-methylprop-2-enimidoyl cyanide?
The IUPAC name of N-methylprop-2-enimidoyl cyanide (CID 123631909) is N-methylprop-2-enimidoyl cyanide.
What is the SMILES notation for N-methylprop-2-enimidoyl cyanide?
The canonical SMILES for N-methylprop-2-enimidoyl cyanide is C=C/C(C#N)=N/C.
What is the InChIKey of N-methylprop-2-enimidoyl cyanide?
The InChIKey is XHQVWJQIUZPYJN-ALCCZGGFSA-N. The full InChI is InChI=1S/C5H6N2/c1-3-5(4-6)7-2/h3H,1H2,2H3/b7-5-.
What are the key properties of N-methylprop-2-enimidoyl cyanide?
N-methylprop-2-enimidoyl cyanide has a molecular weight of 94.12 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylprop-2-enimidoyl cyanide is sourced from PubChem (CID 123631909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).