(2E,4Z)-3-ethenyl-2-N-ethylidene-1-N-methylhexa-2,4-diene-1,2-diimine

C11H16N2 — CID 135207846

IUPAC(2E,4Z)-3-ethenyl-2-N-ethylidene-1-N-methylhexa-2,4-diene-1,2-diimine
SMILESC=CC(/C=C\C)=C(/C=N/C)\N=C\C
InChIInChI=1S/C11H16N2/c1-5-8-10(6-2)11(9-12-4)13-7-3/h5-9H,2H2,1,3-4H3/b8-5-,11-10+,12-9+,13-7+
InChIKeyDUJSEGPOVRZVRD-PPUUZQHPSA-N
MW176.26 g/mol
LogP2.79
Rot. Bonds4

About (2E,4Z)-3-ethenyl-2-N-ethylidene-1-N-methylhexa-2,4-diene-1,2-diimine

(2E,4Z)-3-ethenyl-2-N-ethylidene-1-N-methylhexa-2,4-diene-1,2-diimine (PubChem CID 135207846) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (2E,4Z)-3-ethenyl-2-N-ethylidene-1-N-methylhexa-2,4-diene-1,2-diimine.

Molecular Properties

Compound Name(2E,4Z)-3-ethenyl-2-N-ethylidene-1-N-methylhexa-2,4-diene-1,2-diimine
PubChem CID135207846
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(2E,4Z)-3-ethenyl-2-N-ethylidene-1-N-methylhexa-2,4-diene-1,2-diimine
SMILESC=CC(/C=C\C)=C(/C=N/C)\N=C\C
InChIInChI=1S/C11H16N2/c1-5-8-10(6-2)11(9-12-4)13-7-3/h5-9H,2H2,1,3-4H3/b8-5-,11-10+,12-9+,13-7+
InChIKeyDUJSEGPOVRZVRD-PPUUZQHPSA-N
XLogP2.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-ethenyl-2-N-ethylidene-1-N-methylhexa-2,4-diene-1,2-diimine?
The IUPAC name of (2E,4Z)-3-ethenyl-2-N-ethylidene-1-N-methylhexa-2,4-diene-1,2-diimine (CID 135207846) is (2E,4Z)-3-ethenyl-2-N-ethylidene-1-N-methylhexa-2,4-diene-1,2-diimine.
What is the SMILES notation for (2E,4Z)-3-ethenyl-2-N-ethylidene-1-N-methylhexa-2,4-diene-1,2-diimine?
The canonical SMILES for (2E,4Z)-3-ethenyl-2-N-ethylidene-1-N-methylhexa-2,4-diene-1,2-diimine is C=CC(/C=C\C)=C(/C=N/C)\N=C\C.
What is the InChIKey of (2E,4Z)-3-ethenyl-2-N-ethylidene-1-N-methylhexa-2,4-diene-1,2-diimine?
The InChIKey is DUJSEGPOVRZVRD-PPUUZQHPSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-8-10(6-2)11(9-12-4)13-7-3/h5-9H,2H2,1,3-4H3/b8-5-,11-10+,12-9+,13-7+.
What are the key properties of (2E,4Z)-3-ethenyl-2-N-ethylidene-1-N-methylhexa-2,4-diene-1,2-diimine?
(2E,4Z)-3-ethenyl-2-N-ethylidene-1-N-methylhexa-2,4-diene-1,2-diimine has a molecular weight of 176.26 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-ethenyl-2-N-ethylidene-1-N-methylhexa-2,4-diene-1,2-diimine is sourced from PubChem (CID 135207846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).