(Z)-N'-ethylideneprop-2-ene-1,3-diimine

C5H8N2 — CID 123712054

IUPAC(Z)-N'-ethylideneprop-2-ene-1,3-diimine
SMILES[H]/N=C/C=C\N=C\C
InChIInChI=1S/C5H8N2/c1-2-7-5-3-4-6/h2-6H,1H3/b5-3-,6-4+,7-2+
InChIKeyBPYSLLBJJYNJJV-OMYCZDOZSA-N
MW96.13 g/mol
LogP1.24
Rot. Bonds2

About (Z)-N'-ethylideneprop-2-ene-1,3-diimine

(Z)-N'-ethylideneprop-2-ene-1,3-diimine (PubChem CID 123712054) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is (Z)-N'-ethylideneprop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-N'-ethylideneprop-2-ene-1,3-diimine
PubChem CID123712054
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name(Z)-N'-ethylideneprop-2-ene-1,3-diimine
SMILES[H]/N=C/C=C\N=C\C
InChIInChI=1S/C5H8N2/c1-2-7-5-3-4-6/h2-6H,1H3/b5-3-,6-4+,7-2+
InChIKeyBPYSLLBJJYNJJV-OMYCZDOZSA-N
XLogP1.24
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.24
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 (Z)-N'-ethylideneprop-2-ene-1,3-diimine?
The IUPAC name of (Z)-N'-ethylideneprop-2-ene-1,3-diimine (CID 123712054) is (Z)-N'-ethylideneprop-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-N'-ethylideneprop-2-ene-1,3-diimine?
The canonical SMILES for (Z)-N'-ethylideneprop-2-ene-1,3-diimine is [H]/N=C/C=C\N=C\C.
What is the InChIKey of (Z)-N'-ethylideneprop-2-ene-1,3-diimine?
The InChIKey is BPYSLLBJJYNJJV-OMYCZDOZSA-N. The full InChI is InChI=1S/C5H8N2/c1-2-7-5-3-4-6/h2-6H,1H3/b5-3-,6-4+,7-2+.
What are the key properties of (Z)-N'-ethylideneprop-2-ene-1,3-diimine?
(Z)-N'-ethylideneprop-2-ene-1,3-diimine has a molecular weight of 96.13 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-ethylideneprop-2-ene-1,3-diimine is sourced from PubChem (CID 123712054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).