ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine

C12H17N — CID 142972372

IUPACethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine
SMILESC=C/C=c1/cccn/c1=C/C.CC
InChIInChI=1S/C10H11N.C2H6/c1-3-6-9-7-5-8-11-10(9)4-2;1-2/h3-8H,1H2,2H3;1-2H3/b9-6-,10-4+;
InChIKeyZLMLUYGYHOSMJF-OYQBFJTMSA-N
MW175.27 g/mol
LogP1.87
Rot. Bonds1

About ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine

ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine (PubChem CID 142972372) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine.

Molecular Properties

Compound Nameethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine
PubChem CID142972372
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Nameethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine
SMILESC=C/C=c1/cccn/c1=C/C.CC
InChIInChI=1S/C10H11N.C2H6/c1-3-6-9-7-5-8-11-10(9)4-2;1-2/h3-8H,1H2,2H3;1-2H3/b9-6-,10-4+;
InChIKeyZLMLUYGYHOSMJF-OYQBFJTMSA-N
XLogP1.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine
CID 130370242
ethane;(2E)-2-ethylidene-3-methylidenepyridine;prop-1-ene
CID 144833891
(2E,3Z)-3-(2-methylpropylidene)-2-prop-2-enylidenepyridine
CID 143288900
3-methylidene-2-prop-2-enylidenepyridine
CID 72652539
(2E,3Z)-2-ethylidene-6-methyl-3-prop-2-enylidenepyridine
CID 143069018
3-ethylidene-2-(2-methylbut-2-enylidene)pyridine
CID 90959337
(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane
CID 123449612
buta-1,3-diene;2,3-dimethylpyridine;ethane
CID 145249818
prop-1-ene;quinoline
CID 159640565
ethane;(3Z)-2-methylidene-3-prop-2-enylidenenaphthalene
CID 144920496
(6Z)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-diene
CID 59733889
(3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline
CID 143672117

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine?
The IUPAC name of ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine (CID 142972372) is ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine.
What is the SMILES notation for ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine?
The canonical SMILES for ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine is C=C/C=c1/cccn/c1=C/C.CC.
What is the InChIKey of ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine?
The InChIKey is ZLMLUYGYHOSMJF-OYQBFJTMSA-N. The full InChI is InChI=1S/C10H11N.C2H6/c1-3-6-9-7-5-8-11-10(9)4-2;1-2/h3-8H,1H2,2H3;1-2H3/b9-6-,10-4+;.
What are the key properties of ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine?
ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine has a molecular weight of 175.27 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine is sourced from PubChem (CID 142972372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).