(2E)-2-(5-methylidene-3,4-dihydropyridin-6-ylidene)ethanimine

C8H10N2 — CID 89473884

IUPAC(2E)-2-(5-methylidene-3,4-dihydropyridin-6-ylidene)ethanimine
SMILES[H]/N=C/C=C1/N=CCCC1=C
InChIInChI=1S/C8H10N2/c1-7-3-2-6-10-8(7)4-5-9/h4-6,9H,1-3H2/b8-4+,9-5+
InChIKeyVEXNTINWHYKANM-KBXRYBNXSA-N
MW134.18 g/mol
LogP1.94
Rot. Bonds1

About (2E)-2-(5-methylidene-3,4-dihydropyridin-6-ylidene)ethanimine

(2E)-2-(5-methylidene-3,4-dihydropyridin-6-ylidene)ethanimine (PubChem CID 89473884) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (2E)-2-(5-methylidene-3,4-dihydropyridin-6-ylidene)ethanimine.

Molecular Properties

Compound Name(2E)-2-(5-methylidene-3,4-dihydropyridin-6-ylidene)ethanimine
PubChem CID89473884
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(2E)-2-(5-methylidene-3,4-dihydropyridin-6-ylidene)ethanimine
SMILES[H]/N=C/C=C1/N=CCCC1=C
InChIInChI=1S/C8H10N2/c1-7-3-2-6-10-8(7)4-5-9/h4-6,9H,1-3H2/b8-4+,9-5+
InChIKeyVEXNTINWHYKANM-KBXRYBNXSA-N
XLogP1.94
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.94
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 (2E)-2-(5-methylidene-3,4-dihydropyridin-6-ylidene)ethanimine?
The IUPAC name of (2E)-2-(5-methylidene-3,4-dihydropyridin-6-ylidene)ethanimine (CID 89473884) is (2E)-2-(5-methylidene-3,4-dihydropyridin-6-ylidene)ethanimine.
What is the SMILES notation for (2E)-2-(5-methylidene-3,4-dihydropyridin-6-ylidene)ethanimine?
The canonical SMILES for (2E)-2-(5-methylidene-3,4-dihydropyridin-6-ylidene)ethanimine is [H]/N=C/C=C1/N=CCCC1=C.
What is the InChIKey of (2E)-2-(5-methylidene-3,4-dihydropyridin-6-ylidene)ethanimine?
The InChIKey is VEXNTINWHYKANM-KBXRYBNXSA-N. The full InChI is InChI=1S/C8H10N2/c1-7-3-2-6-10-8(7)4-5-9/h4-6,9H,1-3H2/b8-4+,9-5+.
What are the key properties of (2E)-2-(5-methylidene-3,4-dihydropyridin-6-ylidene)ethanimine?
(2E)-2-(5-methylidene-3,4-dihydropyridin-6-ylidene)ethanimine has a molecular weight of 134.18 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(5-methylidene-3,4-dihydropyridin-6-ylidene)ethanimine is sourced from PubChem (CID 89473884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).