4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine

C13H17NS — CID 123980966

IUPAC4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine
SMILESC=CC=C1C(=CC)CCN=C1SCC=C
InChIInChI=1S/C13H17NS/c1-4-7-12-11(6-3)8-9-14-13(12)15-10-5-2/h4-7H,1-2,8-10H2,3H3
InChIKeyASSFUYLMCMXKTR-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.77
Rot. Bonds3

About 4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine

4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine (PubChem CID 123980966) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine.

Molecular Properties

Compound Name4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine
PubChem CID123980966
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine
SMILESC=CC=C1C(=CC)CCN=C1SCC=C
InChIInChI=1S/C13H17NS/c1-4-7-12-11(6-3)8-9-14-13(12)15-10-5-2/h4-7H,1-2,8-10H2,3H3
InChIKeyASSFUYLMCMXKTR-UHFFFAOYSA-N
XLogP3.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine with MolForge

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

Launch Full Analysis

Related Compounds

(4Z,5E)-4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine
CID 89510178
1-Prop-2-enylsulfanyl-3,4,6,7-tetrahydroisoquinoline
CID 123451986
2-(3,6-dihydro-2H-thiopyran-4-yl)-N-methylbut-2-en-1-imine
CID 124030985
(6E)-N-ethyl-6-(3-propan-2-ylsulfanylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine
CID 139572395
(7Z)-7-[(Z)-but-2-enylidene]-2-methyl-8,9-dimethylidene-5,6-dihydro-4H-1,3-thiazonine
CID 142096894
ethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene
CID 143712501
(4Z,5E)-4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine;methane;2-methylpropane
CID 145561381
1-[5-(1-ethylsulfanylethyl)cyclohepta-1,4,6-trien-1-yl]-N-methylmethanimine
CID 146642728
2-Hept-2-en-2-yl-4,5-dihydro-1,3-thiazole
CID 174626693
2-(2-Methylsulfanylcyclopenta-1,3-dien-1-yl)-4,5-dihydro-1,3-thiazole
CID 102104637
2-[2-(5-ethyl-3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]-5-methylidene-2H-1,3-thiazole
CID 137031951
(1E,11Z)-2-methyl-3-thia-9-azabicyclo[10.4.0]hexadeca-1,9,11,13,15-pentaene
CID 141866964

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine?
The IUPAC name of 4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine (CID 123980966) is 4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine.
What is the SMILES notation for 4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine?
The canonical SMILES for 4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine is C=CC=C1C(=CC)CCN=C1SCC=C.
What is the InChIKey of 4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine?
The InChIKey is ASSFUYLMCMXKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-4-7-12-11(6-3)8-9-14-13(12)15-10-5-2/h4-7H,1-2,8-10H2,3H3.
What are the key properties of 4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine?
4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine has a molecular weight of 219.35 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine is sourced from PubChem (CID 123980966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).