(2E)-2-[(2E)-3-methylpenta-2,4-dienylidene]-3H-pyridine

C11H13N — CID 90340656

IUPAC(2E)-2-[(2E)-3-methylpenta-2,4-dienylidene]-3H-pyridine
SMILESC=C/C(C)=C/C=C1\CC=CC=N1
InChIInChI=1S/C11H13N/c1-3-10(2)7-8-11-6-4-5-9-12-11/h3-5,7-9H,1,6H2,2H3/b10-7+,11-8+
InChIKeyDOILNMLMBWUUNX-AMMQDNIMSA-N
MW159.23 g/mol
LogP3.03
Rot. Bonds2

About (2E)-2-[(2E)-3-methylpenta-2,4-dienylidene]-3H-pyridine

(2E)-2-[(2E)-3-methylpenta-2,4-dienylidene]-3H-pyridine (PubChem CID 90340656) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (2E)-2-[(2E)-3-methylpenta-2,4-dienylidene]-3H-pyridine.

Molecular Properties

Compound Name(2E)-2-[(2E)-3-methylpenta-2,4-dienylidene]-3H-pyridine
PubChem CID90340656
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(2E)-2-[(2E)-3-methylpenta-2,4-dienylidene]-3H-pyridine
SMILESC=C/C(C)=C/C=C1\CC=CC=N1
InChIInChI=1S/C11H13N/c1-3-10(2)7-8-11-6-4-5-9-12-11/h3-5,7-9H,1,6H2,2H3/b10-7+,11-8+
InChIKeyDOILNMLMBWUUNX-AMMQDNIMSA-N
XLogP3.03
TPSA12.36 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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-2-[(2E)-3-methylpenta-2,4-dienylidene]-3H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2E)-3-methylpenta-2,4-dienylidene]-3H-pyridine?
The IUPAC name of (2E)-2-[(2E)-3-methylpenta-2,4-dienylidene]-3H-pyridine (CID 90340656) is (2E)-2-[(2E)-3-methylpenta-2,4-dienylidene]-3H-pyridine.
What is the SMILES notation for (2E)-2-[(2E)-3-methylpenta-2,4-dienylidene]-3H-pyridine?
The canonical SMILES for (2E)-2-[(2E)-3-methylpenta-2,4-dienylidene]-3H-pyridine is C=C/C(C)=C/C=C1\CC=CC=N1.
What is the InChIKey of (2E)-2-[(2E)-3-methylpenta-2,4-dienylidene]-3H-pyridine?
The InChIKey is DOILNMLMBWUUNX-AMMQDNIMSA-N. The full InChI is InChI=1S/C11H13N/c1-3-10(2)7-8-11-6-4-5-9-12-11/h3-5,7-9H,1,6H2,2H3/b10-7+,11-8+.
What are the key properties of (2E)-2-[(2E)-3-methylpenta-2,4-dienylidene]-3H-pyridine?
(2E)-2-[(2E)-3-methylpenta-2,4-dienylidene]-3H-pyridine has a molecular weight of 159.23 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2E)-3-methylpenta-2,4-dienylidene]-3H-pyridine is sourced from PubChem (CID 90340656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).