prop-2-enimidoyl cyanide

C4H4N2 — CID 123676246

IUPACprop-2-enimidoyl cyanide
SMILES[H]/N=C(\C#N)C=C
InChIInChI=1S/C4H4N2/c1-2-4(6)3-5/h2,6H,1H2/b6-4-
InChIKeyOSFHCSRQWNNADZ-XQRVVYSFSA-N
MW80.09 g/mol
LogP0.72
Rot. Bonds1

About prop-2-enimidoyl cyanide

prop-2-enimidoyl cyanide (PubChem CID 123676246) has the molecular formula C4H4N2 and a molecular weight of 80.09 g/mol. Its IUPAC name is prop-2-enimidoyl cyanide.

Molecular Properties

Compound Nameprop-2-enimidoyl cyanide
PubChem CID123676246
Molecular FormulaC4H4N2
Molecular Weight80.09 g/mol
Exact Mass80.04
IUPAC Nameprop-2-enimidoyl cyanide
SMILES[H]/N=C(\C#N)C=C
InChIInChI=1S/C4H4N2/c1-2-4(6)3-5/h2,6H,1H2/b6-4-
InChIKeyOSFHCSRQWNNADZ-XQRVVYSFSA-N
XLogP0.72
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.09
LogP ≤ 50.72
H-Bond Donors ≤ 51
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 prop-2-enimidoyl cyanide?
The IUPAC name of prop-2-enimidoyl cyanide (CID 123676246) is prop-2-enimidoyl cyanide.
What is the SMILES notation for prop-2-enimidoyl cyanide?
The canonical SMILES for prop-2-enimidoyl cyanide is [H]/N=C(\C#N)C=C.
What is the InChIKey of prop-2-enimidoyl cyanide?
The InChIKey is OSFHCSRQWNNADZ-XQRVVYSFSA-N. The full InChI is InChI=1S/C4H4N2/c1-2-4(6)3-5/h2,6H,1H2/b6-4-.
What are the key properties of prop-2-enimidoyl cyanide?
prop-2-enimidoyl cyanide has a molecular weight of 80.09 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enimidoyl cyanide is sourced from PubChem (CID 123676246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).