2-methyl-3-penta-2,3-dienylidene-2H-pyridine

C11H13N — CID 123245752

IUPAC2-methyl-3-penta-2,3-dienylidene-2H-pyridine
SMILESCC=C=CC=C1C=CC=NC1C
InChIInChI=1S/C11H13N/c1-3-4-5-7-11-8-6-9-12-10(11)2/h3,5-10H,1-2H3
InChIKeyYYFSUKXJXXMRMH-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.67
Rot. Bonds1

About 2-methyl-3-penta-2,3-dienylidene-2H-pyridine

2-methyl-3-penta-2,3-dienylidene-2H-pyridine (PubChem CID 123245752) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-methyl-3-penta-2,3-dienylidene-2H-pyridine.

Molecular Properties

Compound Name2-methyl-3-penta-2,3-dienylidene-2H-pyridine
PubChem CID123245752
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-methyl-3-penta-2,3-dienylidene-2H-pyridine
SMILESCC=C=CC=C1C=CC=NC1C
InChIInChI=1S/C11H13N/c1-3-4-5-7-11-8-6-9-12-10(11)2/h3,5-10H,1-2H3
InChIKeyYYFSUKXJXXMRMH-UHFFFAOYSA-N
XLogP2.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-penta-2,3-dienylidene-2H-pyridine?
The IUPAC name of 2-methyl-3-penta-2,3-dienylidene-2H-pyridine (CID 123245752) is 2-methyl-3-penta-2,3-dienylidene-2H-pyridine.
What is the SMILES notation for 2-methyl-3-penta-2,3-dienylidene-2H-pyridine?
The canonical SMILES for 2-methyl-3-penta-2,3-dienylidene-2H-pyridine is CC=C=CC=C1C=CC=NC1C.
What is the InChIKey of 2-methyl-3-penta-2,3-dienylidene-2H-pyridine?
The InChIKey is YYFSUKXJXXMRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-3-4-5-7-11-8-6-9-12-10(11)2/h3,5-10H,1-2H3.
What are the key properties of 2-methyl-3-penta-2,3-dienylidene-2H-pyridine?
2-methyl-3-penta-2,3-dienylidene-2H-pyridine has a molecular weight of 159.23 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-penta-2,3-dienylidene-2H-pyridine is sourced from PubChem (CID 123245752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).