(Z)-pent-2-ene-1,4-diimine

C5H8N2 — CID 59089718

IUPAC(Z)-pent-2-ene-1,4-diimine
SMILES[H]/N=C/C=C\C(C)=N\[H]
InChIInChI=1S/C5H8N2/c1-5(7)3-2-4-6/h2-4,6-7H,1H3/b3-2-,6-4+,7-5+
InChIKeySKORJSNQDVOBJE-QFXLCQRPSA-N
MW96.13 g/mol
LogP1.23
Rot. Bonds2

About (Z)-pent-2-ene-1,4-diimine

(Z)-pent-2-ene-1,4-diimine (PubChem CID 59089718) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is (Z)-pent-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-pent-2-ene-1,4-diimine
PubChem CID59089718
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name(Z)-pent-2-ene-1,4-diimine
SMILES[H]/N=C/C=C\C(C)=N\[H]
InChIInChI=1S/C5H8N2/c1-5(7)3-2-4-6/h2-4,6-7H,1H3/b3-2-,6-4+,7-5+
InChIKeySKORJSNQDVOBJE-QFXLCQRPSA-N
XLogP1.23
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.23
H-Bond Donors ≤ 52
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)-pent-2-ene-1,4-diimine?
The IUPAC name of (Z)-pent-2-ene-1,4-diimine (CID 59089718) is (Z)-pent-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-pent-2-ene-1,4-diimine?
The canonical SMILES for (Z)-pent-2-ene-1,4-diimine is [H]/N=C/C=C\C(C)=N\[H].
What is the InChIKey of (Z)-pent-2-ene-1,4-diimine?
The InChIKey is SKORJSNQDVOBJE-QFXLCQRPSA-N. The full InChI is InChI=1S/C5H8N2/c1-5(7)3-2-4-6/h2-4,6-7H,1H3/b3-2-,6-4+,7-5+.
What are the key properties of (Z)-pent-2-ene-1,4-diimine?
(Z)-pent-2-ene-1,4-diimine has a molecular weight of 96.13 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-pent-2-ene-1,4-diimine is sourced from PubChem (CID 59089718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).