6-ethenyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylidene-3,4-dihydropyridine

C15H19N — CID 170748200

IUPAC6-ethenyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylidene-3,4-dihydropyridine
SMILESC=C/C=C(\C=C)CN1C(=C)CCC=C1C=C
InChIInChI=1S/C15H19N/c1-5-9-14(6-2)12-16-13(4)10-8-11-15(16)7-3/h5-7,9,11H,1-4,8,10,12H2/b14-9+
InChIKeyRYHPTGVPNWZBTK-NTEUORMPSA-N
MW213.32 g/mol
LogP3.96
Rot. Bonds5

About 6-ethenyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylidene-3,4-dihydropyridine

6-ethenyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylidene-3,4-dihydropyridine (PubChem CID 170748200) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 6-ethenyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylidene-3,4-dihydropyridine.

Molecular Properties

Compound Name6-ethenyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylidene-3,4-dihydropyridine
PubChem CID170748200
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name6-ethenyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylidene-3,4-dihydropyridine
SMILESC=C/C=C(\C=C)CN1C(=C)CCC=C1C=C
InChIInChI=1S/C15H19N/c1-5-9-14(6-2)12-16-13(4)10-8-11-15(16)7-3/h5-7,9,11H,1-4,8,10,12H2/b14-9+
InChIKeyRYHPTGVPNWZBTK-NTEUORMPSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylidene-3,4-dihydropyridine?
The IUPAC name of 6-ethenyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylidene-3,4-dihydropyridine (CID 170748200) is 6-ethenyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylidene-3,4-dihydropyridine.
What is the SMILES notation for 6-ethenyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylidene-3,4-dihydropyridine?
The canonical SMILES for 6-ethenyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylidene-3,4-dihydropyridine is C=C/C=C(\C=C)CN1C(=C)CCC=C1C=C.
What is the InChIKey of 6-ethenyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylidene-3,4-dihydropyridine?
The InChIKey is RYHPTGVPNWZBTK-NTEUORMPSA-N. The full InChI is InChI=1S/C15H19N/c1-5-9-14(6-2)12-16-13(4)10-8-11-15(16)7-3/h5-7,9,11H,1-4,8,10,12H2/b14-9+.
What are the key properties of 6-ethenyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylidene-3,4-dihydropyridine?
6-ethenyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylidene-3,4-dihydropyridine has a molecular weight of 213.32 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylidene-3,4-dihydropyridine is sourced from PubChem (CID 170748200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).