2-methyl-6-[(Z,3E)-3-(5-methylidenecyclopent-2-en-1-ylidene)hex-4-en-1-ynyl]pyridine

C18H17N — CID 143838158

IUPAC2-methyl-6-[(Z,3E)-3-(5-methylidenecyclopent-2-en-1-ylidene)hex-4-en-1-ynyl]pyridine
SMILESC=C1CC=C/C1=C(C#Cc1cccc(C)n1)/C=C\C
InChIInChI=1S/C18H17N/c1-4-7-16(18-11-5-8-14(18)2)12-13-17-10-6-9-15(3)19-17/h4-7,9-11H,2,8H2,1,3H3/b7-4-,18-16+
InChIKeyMUQYYGKIQUDRMY-VTJOPCHBSA-N
MW247.34 g/mol
LogP4.13
Rot. Bonds1

About 2-methyl-6-[(Z,3E)-3-(5-methylidenecyclopent-2-en-1-ylidene)hex-4-en-1-ynyl]pyridine

2-methyl-6-[(Z,3E)-3-(5-methylidenecyclopent-2-en-1-ylidene)hex-4-en-1-ynyl]pyridine (PubChem CID 143838158) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-6-[(Z,3E)-3-(5-methylidenecyclopent-2-en-1-ylidene)hex-4-en-1-ynyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[(Z,3E)-3-(5-methylidenecyclopent-2-en-1-ylidene)hex-4-en-1-ynyl]pyridine
PubChem CID143838158
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name2-methyl-6-[(Z,3E)-3-(5-methylidenecyclopent-2-en-1-ylidene)hex-4-en-1-ynyl]pyridine
SMILESC=C1CC=C/C1=C(C#Cc1cccc(C)n1)/C=C\C
InChIInChI=1S/C18H17N/c1-4-7-16(18-11-5-8-14(18)2)12-13-17-10-6-9-15(3)19-17/h4-7,9-11H,2,8H2,1,3H3/b7-4-,18-16+
InChIKeyMUQYYGKIQUDRMY-VTJOPCHBSA-N
XLogP4.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-6-[(Z,3E)-3-(5-methylidenecyclopent-2-en-1-ylidene)hex-4-en-1-ynyl]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 2-methyl-6-[(Z,3E)-3-(5-methylidenecyclopent-2-en-1-ylidene)hex-4-en-1-ynyl]pyridine?
The IUPAC name of 2-methyl-6-[(Z,3E)-3-(5-methylidenecyclopent-2-en-1-ylidene)hex-4-en-1-ynyl]pyridine (CID 143838158) is 2-methyl-6-[(Z,3E)-3-(5-methylidenecyclopent-2-en-1-ylidene)hex-4-en-1-ynyl]pyridine.
What is the SMILES notation for 2-methyl-6-[(Z,3E)-3-(5-methylidenecyclopent-2-en-1-ylidene)hex-4-en-1-ynyl]pyridine?
The canonical SMILES for 2-methyl-6-[(Z,3E)-3-(5-methylidenecyclopent-2-en-1-ylidene)hex-4-en-1-ynyl]pyridine is C=C1CC=C/C1=C(C#Cc1cccc(C)n1)/C=C\C.
What is the InChIKey of 2-methyl-6-[(Z,3E)-3-(5-methylidenecyclopent-2-en-1-ylidene)hex-4-en-1-ynyl]pyridine?
The InChIKey is MUQYYGKIQUDRMY-VTJOPCHBSA-N. The full InChI is InChI=1S/C18H17N/c1-4-7-16(18-11-5-8-14(18)2)12-13-17-10-6-9-15(3)19-17/h4-7,9-11H,2,8H2,1,3H3/b7-4-,18-16+.
What are the key properties of 2-methyl-6-[(Z,3E)-3-(5-methylidenecyclopent-2-en-1-ylidene)hex-4-en-1-ynyl]pyridine?
2-methyl-6-[(Z,3E)-3-(5-methylidenecyclopent-2-en-1-ylidene)hex-4-en-1-ynyl]pyridine has a molecular weight of 247.34 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(Z,3E)-3-(5-methylidenecyclopent-2-en-1-ylidene)hex-4-en-1-ynyl]pyridine is sourced from PubChem (CID 143838158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).