(2Z)-2-ethylidenepent-4-ene-1,3-diimine

C7H10N2 — CID 123930405

IUPAC(2Z)-2-ethylidenepent-4-ene-1,3-diimine
SMILES[H]/N=C/C(=C/C)/C(C=C)=N/[H]
InChIInChI=1S/C7H10N2/c1-3-6(5-8)7(9)4-2/h3-5,8-9H,2H2,1H3/b6-3-,8-5+,9-7+
InChIKeyNJWAFQYSUYQKGC-ALFFPGAUSA-N
MW122.17 g/mol
LogP1.79
Rot. Bonds3

About (2Z)-2-ethylidenepent-4-ene-1,3-diimine

(2Z)-2-ethylidenepent-4-ene-1,3-diimine (PubChem CID 123930405) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (2Z)-2-ethylidenepent-4-ene-1,3-diimine.

Molecular Properties

Compound Name(2Z)-2-ethylidenepent-4-ene-1,3-diimine
PubChem CID123930405
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(2Z)-2-ethylidenepent-4-ene-1,3-diimine
SMILES[H]/N=C/C(=C/C)/C(C=C)=N/[H]
InChIInChI=1S/C7H10N2/c1-3-6(5-8)7(9)4-2/h3-5,8-9H,2H2,1H3/b6-3-,8-5+,9-7+
InChIKeyNJWAFQYSUYQKGC-ALFFPGAUSA-N
XLogP1.79
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.79
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 (2Z)-2-ethylidenepent-4-ene-1,3-diimine?
The IUPAC name of (2Z)-2-ethylidenepent-4-ene-1,3-diimine (CID 123930405) is (2Z)-2-ethylidenepent-4-ene-1,3-diimine.
What is the SMILES notation for (2Z)-2-ethylidenepent-4-ene-1,3-diimine?
The canonical SMILES for (2Z)-2-ethylidenepent-4-ene-1,3-diimine is [H]/N=C/C(=C/C)/C(C=C)=N/[H].
What is the InChIKey of (2Z)-2-ethylidenepent-4-ene-1,3-diimine?
The InChIKey is NJWAFQYSUYQKGC-ALFFPGAUSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-6(5-8)7(9)4-2/h3-5,8-9H,2H2,1H3/b6-3-,8-5+,9-7+.
What are the key properties of (2Z)-2-ethylidenepent-4-ene-1,3-diimine?
(2Z)-2-ethylidenepent-4-ene-1,3-diimine has a molecular weight of 122.17 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidenepent-4-ene-1,3-diimine is sourced from PubChem (CID 123930405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).