5-ethenyl-6-methyl-1-(5-methylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-pyridine

C15H23N — CID 123481805

IUPAC5-ethenyl-6-methyl-1-(5-methylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-pyridine
SMILESC=CC1=C(C)N(C(=C)CCC(=C)C)CCC1
InChIInChI=1S/C15H23N/c1-6-15-8-7-11-16(14(15)5)13(4)10-9-12(2)3/h6H,1-2,4,7-11H2,3,5H3
InChIKeyOWRCZCWDHVYYMV-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.41
Rot. Bonds5

About 5-ethenyl-6-methyl-1-(5-methylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-pyridine

5-ethenyl-6-methyl-1-(5-methylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-pyridine (PubChem CID 123481805) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 5-ethenyl-6-methyl-1-(5-methylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-ethenyl-6-methyl-1-(5-methylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-pyridine
PubChem CID123481805
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name5-ethenyl-6-methyl-1-(5-methylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-pyridine
SMILESC=CC1=C(C)N(C(=C)CCC(=C)C)CCC1
InChIInChI=1S/C15H23N/c1-6-15-8-7-11-16(14(15)5)13(4)10-9-12(2)3/h6H,1-2,4,7-11H2,3,5H3
InChIKeyOWRCZCWDHVYYMV-UHFFFAOYSA-N
XLogP4.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-methyl-1-(5-methylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-pyridine?
The IUPAC name of 5-ethenyl-6-methyl-1-(5-methylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-pyridine (CID 123481805) is 5-ethenyl-6-methyl-1-(5-methylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 5-ethenyl-6-methyl-1-(5-methylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-pyridine?
The canonical SMILES for 5-ethenyl-6-methyl-1-(5-methylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-pyridine is C=CC1=C(C)N(C(=C)CCC(=C)C)CCC1.
What is the InChIKey of 5-ethenyl-6-methyl-1-(5-methylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-pyridine?
The InChIKey is OWRCZCWDHVYYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-6-15-8-7-11-16(14(15)5)13(4)10-9-12(2)3/h6H,1-2,4,7-11H2,3,5H3.
What are the key properties of 5-ethenyl-6-methyl-1-(5-methylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-pyridine?
5-ethenyl-6-methyl-1-(5-methylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-pyridine has a molecular weight of 217.36 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-methyl-1-(5-methylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 123481805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).