6-ethenyl-5-[(3Z)-2-methylhexa-3,5-dien-3-yl]-2,3-dihydropyridine

C14H19N — CID 170278859

IUPAC6-ethenyl-5-[(3Z)-2-methylhexa-3,5-dien-3-yl]-2,3-dihydropyridine
SMILESC=C/C=C(\C1=CCCN=C1C=C)C(C)C
InChIInChI=1S/C14H19N/c1-5-8-12(11(3)4)13-9-7-10-15-14(13)6-2/h5-6,8-9,11H,1-2,7,10H2,3-4H3/b12-8-
InChIKeyAIKCEMKUWABXSA-WQLSENKSSA-N
MW201.31 g/mol
LogP3.71
Rot. Bonds4

About 6-ethenyl-5-[(3Z)-2-methylhexa-3,5-dien-3-yl]-2,3-dihydropyridine

6-ethenyl-5-[(3Z)-2-methylhexa-3,5-dien-3-yl]-2,3-dihydropyridine (PubChem CID 170278859) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 6-ethenyl-5-[(3Z)-2-methylhexa-3,5-dien-3-yl]-2,3-dihydropyridine.

Molecular Properties

Compound Name6-ethenyl-5-[(3Z)-2-methylhexa-3,5-dien-3-yl]-2,3-dihydropyridine
PubChem CID170278859
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name6-ethenyl-5-[(3Z)-2-methylhexa-3,5-dien-3-yl]-2,3-dihydropyridine
SMILESC=C/C=C(\C1=CCCN=C1C=C)C(C)C
InChIInChI=1S/C14H19N/c1-5-8-12(11(3)4)13-9-7-10-15-14(13)6-2/h5-6,8-9,11H,1-2,7,10H2,3-4H3/b12-8-
InChIKeyAIKCEMKUWABXSA-WQLSENKSSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.71
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-5-[(3Z)-2-methylhexa-3,5-dien-3-yl]-2,3-dihydropyridine?
The IUPAC name of 6-ethenyl-5-[(3Z)-2-methylhexa-3,5-dien-3-yl]-2,3-dihydropyridine (CID 170278859) is 6-ethenyl-5-[(3Z)-2-methylhexa-3,5-dien-3-yl]-2,3-dihydropyridine.
What is the SMILES notation for 6-ethenyl-5-[(3Z)-2-methylhexa-3,5-dien-3-yl]-2,3-dihydropyridine?
The canonical SMILES for 6-ethenyl-5-[(3Z)-2-methylhexa-3,5-dien-3-yl]-2,3-dihydropyridine is C=C/C=C(\C1=CCCN=C1C=C)C(C)C.
What is the InChIKey of 6-ethenyl-5-[(3Z)-2-methylhexa-3,5-dien-3-yl]-2,3-dihydropyridine?
The InChIKey is AIKCEMKUWABXSA-WQLSENKSSA-N. The full InChI is InChI=1S/C14H19N/c1-5-8-12(11(3)4)13-9-7-10-15-14(13)6-2/h5-6,8-9,11H,1-2,7,10H2,3-4H3/b12-8-.
What are the key properties of 6-ethenyl-5-[(3Z)-2-methylhexa-3,5-dien-3-yl]-2,3-dihydropyridine?
6-ethenyl-5-[(3Z)-2-methylhexa-3,5-dien-3-yl]-2,3-dihydropyridine has a molecular weight of 201.31 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-[(3Z)-2-methylhexa-3,5-dien-3-yl]-2,3-dihydropyridine is sourced from PubChem (CID 170278859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).