5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,4,5-tetrahydropyridine

C11H17N — CID 123712763

IUPAC5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,4,5-tetrahydropyridine
SMILESC=C(C)/C=C\C1=NCCCC1C
InChIInChI=1S/C11H17N/c1-9(2)6-7-11-10(3)5-4-8-12-11/h6-7,10H,1,4-5,8H2,2-3H3/b7-6-
InChIKeyGFOQKXCWHDYEHZ-SREVYHEPSA-N
MW163.26 g/mol
LogP2.99
Rot. Bonds2

About 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,4,5-tetrahydropyridine

5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,4,5-tetrahydropyridine (PubChem CID 123712763) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,4,5-tetrahydropyridine
PubChem CID123712763
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,4,5-tetrahydropyridine
SMILESC=C(C)/C=C\C1=NCCCC1C
InChIInChI=1S/C11H17N/c1-9(2)6-7-11-10(3)5-4-8-12-11/h6-7,10H,1,4-5,8H2,2-3H3/b7-6-
InChIKeyGFOQKXCWHDYEHZ-SREVYHEPSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-(3,4,5,6-Tetrahydropyridyl))-1,3-pentadiene
CID 6444364
6-Hepta-1,3,5-trienyl-2,3,4,5-tetrahydropyridine
CID 442650
Nigrifactin
CID 5281688
CID 6445873
CID 6445873
2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-
CID 6445872
CID 101409054
CID 101409054
3-methyl-5-penta-1,3-dienyl-3,4-dihydro-2H-pyrrole
CID 162856209
Tetrahydro 3h cyclopenta[c]quinoline
CID 66841971
4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine
CID 89431580
5-Fluoro-4-methyl-8-propan-2-yl-2,3-dihydroquinoline
CID 144455889
3-Ethyl-10-fluoro-2-azabicyclo[5.4.1]dodeca-2,4,8,10-tetraene
CID 146580857
9-(1,1-difluoroethyl)-3,5-dimethyl-3,4-dihydro-2H-1-benzazepine;molecular hydrogen
CID 156752584

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,4,5-tetrahydropyridine?
The IUPAC name of 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,4,5-tetrahydropyridine (CID 123712763) is 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,4,5-tetrahydropyridine is C=C(C)/C=C\C1=NCCCC1C.
What is the InChIKey of 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,4,5-tetrahydropyridine?
The InChIKey is GFOQKXCWHDYEHZ-SREVYHEPSA-N. The full InChI is InChI=1S/C11H17N/c1-9(2)6-7-11-10(3)5-4-8-12-11/h6-7,10H,1,4-5,8H2,2-3H3/b7-6-.
What are the key properties of 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,4,5-tetrahydropyridine?
5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,4,5-tetrahydropyridine has a molecular weight of 163.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 123712763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).