4-[(2E,4Z)-6-methylocta-2,4,6,7-tetraen-2-yl]-2,3-dihydropyridine

C14H17N — CID 89264505

IUPAC4-[(2E,4Z)-6-methylocta-2,4,6,7-tetraen-2-yl]-2,3-dihydropyridine
SMILESC=C=C(C)/C=C\C=C(/C)C1=CC=NCC1
InChIInChI=1S/C14H17N/c1-4-12(2)6-5-7-13(3)14-8-10-15-11-9-14/h5-8,10H,1,9,11H2,2-3H3/b6-5-,13-7+
InChIKeyZRWQENITGSGBAC-RKOYKYSNSA-N
MW199.30 g/mol
LogP3.62
Rot. Bonds3

About 4-[(2E,4Z)-6-methylocta-2,4,6,7-tetraen-2-yl]-2,3-dihydropyridine

4-[(2E,4Z)-6-methylocta-2,4,6,7-tetraen-2-yl]-2,3-dihydropyridine (PubChem CID 89264505) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-[(2E,4Z)-6-methylocta-2,4,6,7-tetraen-2-yl]-2,3-dihydropyridine.

Molecular Properties

Compound Name4-[(2E,4Z)-6-methylocta-2,4,6,7-tetraen-2-yl]-2,3-dihydropyridine
PubChem CID89264505
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name4-[(2E,4Z)-6-methylocta-2,4,6,7-tetraen-2-yl]-2,3-dihydropyridine
SMILESC=C=C(C)/C=C\C=C(/C)C1=CC=NCC1
InChIInChI=1S/C14H17N/c1-4-12(2)6-5-7-13(3)14-8-10-15-11-9-14/h5-8,10H,1,9,11H2,2-3H3/b6-5-,13-7+
InChIKeyZRWQENITGSGBAC-RKOYKYSNSA-N
XLogP3.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.62
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 4-[(2E,4Z)-6-methylocta-2,4,6,7-tetraen-2-yl]-2,3-dihydropyridine?
The IUPAC name of 4-[(2E,4Z)-6-methylocta-2,4,6,7-tetraen-2-yl]-2,3-dihydropyridine (CID 89264505) is 4-[(2E,4Z)-6-methylocta-2,4,6,7-tetraen-2-yl]-2,3-dihydropyridine.
What is the SMILES notation for 4-[(2E,4Z)-6-methylocta-2,4,6,7-tetraen-2-yl]-2,3-dihydropyridine?
The canonical SMILES for 4-[(2E,4Z)-6-methylocta-2,4,6,7-tetraen-2-yl]-2,3-dihydropyridine is C=C=C(C)/C=C\C=C(/C)C1=CC=NCC1.
What is the InChIKey of 4-[(2E,4Z)-6-methylocta-2,4,6,7-tetraen-2-yl]-2,3-dihydropyridine?
The InChIKey is ZRWQENITGSGBAC-RKOYKYSNSA-N. The full InChI is InChI=1S/C14H17N/c1-4-12(2)6-5-7-13(3)14-8-10-15-11-9-14/h5-8,10H,1,9,11H2,2-3H3/b6-5-,13-7+.
What are the key properties of 4-[(2E,4Z)-6-methylocta-2,4,6,7-tetraen-2-yl]-2,3-dihydropyridine?
4-[(2E,4Z)-6-methylocta-2,4,6,7-tetraen-2-yl]-2,3-dihydropyridine has a molecular weight of 199.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-6-methylocta-2,4,6,7-tetraen-2-yl]-2,3-dihydropyridine is sourced from PubChem (CID 89264505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).