ethane;(5Z,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyridine

C16H29N — CID 143576031

IUPACethane;(5Z,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyridine
SMILESC/C=C(C)\C=C1\NCC=C\C1=C\C.CC.CC
InChIInChI=1S/C12H17N.2C2H6/c1-4-10(3)9-12-11(5-2)7-6-8-13-12;2*1-2/h4-7,9,13H,8H2,1-3H3;2*1-2H3/b10-4-,11-5-,12-9+;;
InChIKeyZWCDYVPBIMVYDL-AMJZFKKZSA-N
MW235.41 g/mol
LogP4.99
Rot. Bonds1

About ethane;(5Z,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyridine

ethane;(5Z,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyridine (PubChem CID 143576031) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is ethane;(5Z,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyridine.

Molecular Properties

Compound Nameethane;(5Z,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyridine
PubChem CID143576031
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Nameethane;(5Z,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyridine
SMILESC/C=C(C)\C=C1\NCC=C\C1=C\C.CC.CC
InChIInChI=1S/C12H17N.2C2H6/c1-4-10(3)9-12-11(5-2)7-6-8-13-12;2*1-2/h4-7,9,13H,8H2,1-3H3;2*1-2H3/b10-4-,11-5-,12-9+;;
InChIKeyZWCDYVPBIMVYDL-AMJZFKKZSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene
CID 143292269
6-(hydroxymethylidene)-1,2-dihydropyridin-5-one
CID 163966892
4-[(Z)-2-methylbut-2-enylidene]cyclopentene
CID 143194573
ethane;1,2,9,10-tetrahydro-1,10-phenanthroline
CID 91142071
(3Z,4Z)-3,4-di(ethylidene)cyclopentene;ethane;prop-1-yne
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(1E)-1-(1,2-dihydropyrrol-5-ylidene)-N-methylmethanamine
CID 89378016
ethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol
CID 143106531
(2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole
CID 88538217
ethane;(2E,3Z)-2-ethylidene-1-methyl-3-[(Z)-2-methylbut-2-enylidene]indole
CID 143759695
ethane;5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,2-dihydropyridine
CID 143452613
3-methyl-1,7-dihydro-1,3-diazepine-2,4-dione
CID 166651961
1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline
CID 71133090

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyridine?
The IUPAC name of ethane;(5Z,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyridine (CID 143576031) is ethane;(5Z,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyridine.
What is the SMILES notation for ethane;(5Z,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyridine?
The canonical SMILES for ethane;(5Z,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyridine is C/C=C(C)\C=C1\NCC=C\C1=C\C.CC.CC.
What is the InChIKey of ethane;(5Z,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyridine?
The InChIKey is ZWCDYVPBIMVYDL-AMJZFKKZSA-N. The full InChI is InChI=1S/C12H17N.2C2H6/c1-4-10(3)9-12-11(5-2)7-6-8-13-12;2*1-2/h4-7,9,13H,8H2,1-3H3;2*1-2H3/b10-4-,11-5-,12-9+;;.
What are the key properties of ethane;(5Z,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyridine?
ethane;(5Z,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyridine has a molecular weight of 235.41 g/mol, XLogP of 4.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyridine is sourced from PubChem (CID 143576031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).