2-methyl-3-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]pyridine

C14H19N — CID 138722170

IUPAC2-methyl-3-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]pyridine
SMILESC/C=C\C(=C/c1cccnc1C)C(C)C
InChIInChI=1S/C14H19N/c1-5-7-13(11(2)3)10-14-8-6-9-15-12(14)4/h5-11H,1-4H3/b7-5-,13-10+
InChIKeyJAXVRPRNJPYRHI-PBHGGESISA-N
MW201.31 g/mol
LogP4.01
Rot. Bonds3

About 2-methyl-3-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]pyridine

2-methyl-3-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]pyridine (PubChem CID 138722170) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-methyl-3-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]pyridine.

Molecular Properties

Compound Name2-methyl-3-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]pyridine
PubChem CID138722170
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-methyl-3-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]pyridine
SMILESC/C=C\C(=C/c1cccnc1C)C(C)C
InChIInChI=1S/C14H19N/c1-5-7-13(11(2)3)10-14-8-6-9-15-12(14)4/h5-11H,1-4H3/b7-5-,13-10+
InChIKeyJAXVRPRNJPYRHI-PBHGGESISA-N
XLogP4.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.01
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 2-methyl-3-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]pyridine?
The IUPAC name of 2-methyl-3-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]pyridine (CID 138722170) is 2-methyl-3-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]pyridine.
What is the SMILES notation for 2-methyl-3-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]pyridine?
The canonical SMILES for 2-methyl-3-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]pyridine is C/C=C\C(=C/c1cccnc1C)C(C)C.
What is the InChIKey of 2-methyl-3-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]pyridine?
The InChIKey is JAXVRPRNJPYRHI-PBHGGESISA-N. The full InChI is InChI=1S/C14H19N/c1-5-7-13(11(2)3)10-14-8-6-9-15-12(14)4/h5-11H,1-4H3/b7-5-,13-10+.
What are the key properties of 2-methyl-3-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]pyridine?
2-methyl-3-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]pyridine has a molecular weight of 201.31 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]pyridine is sourced from PubChem (CID 138722170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).