(Z)-4-N-ethylidenebut-3-ene-2,4-diimine

C6H10N2 — CID 90382157

IUPAC(Z)-4-N-ethylidenebut-3-ene-2,4-diimine
SMILES[H]/N=C(C)/C=C\N=C\C
InChIInChI=1S/C6H10N2/c1-3-8-5-4-6(2)7/h3-5,7H,1-2H3/b5-4-,7-6+,8-3+
InChIKeyLAZXQEWLTIKEEA-FNXDBYPTSA-N
MW110.16 g/mol
LogP1.63
Rot. Bonds2

About (Z)-4-N-ethylidenebut-3-ene-2,4-diimine

(Z)-4-N-ethylidenebut-3-ene-2,4-diimine (PubChem CID 90382157) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (Z)-4-N-ethylidenebut-3-ene-2,4-diimine.

Molecular Properties

Compound Name(Z)-4-N-ethylidenebut-3-ene-2,4-diimine
PubChem CID90382157
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(Z)-4-N-ethylidenebut-3-ene-2,4-diimine
SMILES[H]/N=C(C)/C=C\N=C\C
InChIInChI=1S/C6H10N2/c1-3-8-5-4-6(2)7/h3-5,7H,1-2H3/b5-4-,7-6+,8-3+
InChIKeyLAZXQEWLTIKEEA-FNXDBYPTSA-N
XLogP1.63
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.63
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)-4-N-ethylidenebut-3-ene-2,4-diimine?
The IUPAC name of (Z)-4-N-ethylidenebut-3-ene-2,4-diimine (CID 90382157) is (Z)-4-N-ethylidenebut-3-ene-2,4-diimine.
What is the SMILES notation for (Z)-4-N-ethylidenebut-3-ene-2,4-diimine?
The canonical SMILES for (Z)-4-N-ethylidenebut-3-ene-2,4-diimine is [H]/N=C(C)/C=C\N=C\C.
What is the InChIKey of (Z)-4-N-ethylidenebut-3-ene-2,4-diimine?
The InChIKey is LAZXQEWLTIKEEA-FNXDBYPTSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-8-5-4-6(2)7/h3-5,7H,1-2H3/b5-4-,7-6+,8-3+.
What are the key properties of (Z)-4-N-ethylidenebut-3-ene-2,4-diimine?
(Z)-4-N-ethylidenebut-3-ene-2,4-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-N-ethylidenebut-3-ene-2,4-diimine is sourced from PubChem (CID 90382157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).