3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine

C11H13N — CID 143368310

IUPAC3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine
SMILESCC(C)=C/C=C\c1cccnc1
InChIInChI=1S/C11H13N/c1-10(2)5-3-6-11-7-4-8-12-9-11/h3-9H,1-2H3/b6-3-
InChIKeyOSJBUQNUDPFNEK-UTCJRWHESA-N
MW159.23 g/mol
LogP3.06
Rot. Bonds2

About 3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine

3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine (PubChem CID 143368310) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine.

Molecular Properties

Compound Name3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine
PubChem CID143368310
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine
SMILESCC(C)=C/C=C\c1cccnc1
InChIInChI=1S/C11H13N/c1-10(2)5-3-6-11-7-4-8-12-9-11/h3-9H,1-2H3/b6-3-
InChIKeyOSJBUQNUDPFNEK-UTCJRWHESA-N
XLogP3.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.06
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

3-[(1E,3E)-penta-1,3-dienyl]pyridine
CID 173222237
3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861
4-methylpenta-1,3-dienylbenzene
CID 3614395
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
2-hydroxy-5-[(E)-3-pyridin-3-ylprop-2-enylidene]-1,3-diazinane-4,6-dione
CID 134214333
3-[(Z)-2-pyridin-3-ylethenyl]phenol
CID 70505429
CID 131858610
CID 131858610
2,3,5,6-tetrakis[(E)-2-pyridin-3-ylethenyl]pyrazine
CID 19937846
3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine
CID 45079882
ethane;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465034
[(E)-2-pyridin-3-ylethenyl] thiohypochlorite
CID 142599009

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine?
The IUPAC name of 3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine (CID 143368310) is 3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine.
What is the SMILES notation for 3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine?
The canonical SMILES for 3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine is CC(C)=C/C=C\c1cccnc1.
What is the InChIKey of 3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine?
The InChIKey is OSJBUQNUDPFNEK-UTCJRWHESA-N. The full InChI is InChI=1S/C11H13N/c1-10(2)5-3-6-11-7-4-8-12-9-11/h3-9H,1-2H3/b6-3-.
What are the key properties of 3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine?
3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine has a molecular weight of 159.23 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine is sourced from PubChem (CID 143368310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).