(4R)-4-methyl-4-[(2Z)-penta-2,4-dienyl]-3H-pyridine

C11H15N — CID 89385029

IUPAC(4R)-4-methyl-4-[(2Z)-penta-2,4-dienyl]-3H-pyridine
SMILESC=C/C=C\C[C@@]1(C)C=CN=CC1
InChIInChI=1S/C11H15N/c1-3-4-5-6-11(2)7-9-12-10-8-11/h3-5,7,9-10H,1,6,8H2,2H3/b5-4-/t11-/m0/s1
InChIKeyMGBIFFRSZVIXBO-WYGGZMRJSA-N
MW161.25 g/mol
LogP3.11
Rot. Bonds3

About (4R)-4-methyl-4-[(2Z)-penta-2,4-dienyl]-3H-pyridine

(4R)-4-methyl-4-[(2Z)-penta-2,4-dienyl]-3H-pyridine (PubChem CID 89385029) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (4R)-4-methyl-4-[(2Z)-penta-2,4-dienyl]-3H-pyridine.

Molecular Properties

Compound Name(4R)-4-methyl-4-[(2Z)-penta-2,4-dienyl]-3H-pyridine
PubChem CID89385029
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(4R)-4-methyl-4-[(2Z)-penta-2,4-dienyl]-3H-pyridine
SMILESC=C/C=C\C[C@@]1(C)C=CN=CC1
InChIInChI=1S/C11H15N/c1-3-4-5-6-11(2)7-9-12-10-8-11/h3-5,7,9-10H,1,6,8H2,2H3/b5-4-/t11-/m0/s1
InChIKeyMGBIFFRSZVIXBO-WYGGZMRJSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.11
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 (4R)-4-methyl-4-[(2Z)-penta-2,4-dienyl]-3H-pyridine?
The IUPAC name of (4R)-4-methyl-4-[(2Z)-penta-2,4-dienyl]-3H-pyridine (CID 89385029) is (4R)-4-methyl-4-[(2Z)-penta-2,4-dienyl]-3H-pyridine.
What is the SMILES notation for (4R)-4-methyl-4-[(2Z)-penta-2,4-dienyl]-3H-pyridine?
The canonical SMILES for (4R)-4-methyl-4-[(2Z)-penta-2,4-dienyl]-3H-pyridine is C=C/C=C\C[C@@]1(C)C=CN=CC1.
What is the InChIKey of (4R)-4-methyl-4-[(2Z)-penta-2,4-dienyl]-3H-pyridine?
The InChIKey is MGBIFFRSZVIXBO-WYGGZMRJSA-N. The full InChI is InChI=1S/C11H15N/c1-3-4-5-6-11(2)7-9-12-10-8-11/h3-5,7,9-10H,1,6,8H2,2H3/b5-4-/t11-/m0/s1.
What are the key properties of (4R)-4-methyl-4-[(2Z)-penta-2,4-dienyl]-3H-pyridine?
(4R)-4-methyl-4-[(2Z)-penta-2,4-dienyl]-3H-pyridine has a molecular weight of 161.25 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-4-[(2Z)-penta-2,4-dienyl]-3H-pyridine is sourced from PubChem (CID 89385029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).