ethane;(5Z,6E)-6-ethylidene-5-(2-methylprop-2-enylidene)-3,4-dihydropyridine

C15H27N — CID 143256515

IUPACethane;(5Z,6E)-6-ethylidene-5-(2-methylprop-2-enylidene)-3,4-dihydropyridine
SMILESC=C(C)/C=C1\CCC=N\C1=C\C.CC.CC
InChIInChI=1S/C11H15N.2C2H6/c1-4-11-10(8-9(2)3)6-5-7-12-11;2*1-2/h4,7-8H,2,5-6H2,1,3H3;2*1-2H3/b10-8-,11-4-;;
InChIKeySHWWCTVDTYIHAV-UBMCEJFDSA-N
MW221.39 g/mol
LogP5.31
Rot. Bonds1

About ethane;(5Z,6E)-6-ethylidene-5-(2-methylprop-2-enylidene)-3,4-dihydropyridine

ethane;(5Z,6E)-6-ethylidene-5-(2-methylprop-2-enylidene)-3,4-dihydropyridine (PubChem CID 143256515) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is ethane;(5Z,6E)-6-ethylidene-5-(2-methylprop-2-enylidene)-3,4-dihydropyridine.

Molecular Properties

Compound Nameethane;(5Z,6E)-6-ethylidene-5-(2-methylprop-2-enylidene)-3,4-dihydropyridine
PubChem CID143256515
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Nameethane;(5Z,6E)-6-ethylidene-5-(2-methylprop-2-enylidene)-3,4-dihydropyridine
SMILESC=C(C)/C=C1\CCC=N\C1=C\C.CC.CC
InChIInChI=1S/C11H15N.2C2H6/c1-4-11-10(8-9(2)3)6-5-7-12-11;2*1-2/h4,7-8H,2,5-6H2,1,3H3;2*1-2H3/b10-8-,11-4-;;
InChIKeySHWWCTVDTYIHAV-UBMCEJFDSA-N
XLogP5.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.39
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Methylazepino indole
CID 129789857
6-(3-Chloro-4-fluorocyclohexa-1,3-dien-1-yl)-5-methyl-3,4-dihydropyridine
CID 123581470
(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine
CID 135128526
6-Cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine
CID 91482385
4,5-Dihydroindenopyridine
CID 129783754
3,4-Dibutylcyclopenta[b]pyrrole
CID 21095325
3,4-Diethylcyclopenta[b]pyrrole
CID 21095342
3,4-Dipropylcyclopenta[b]pyrrole
CID 21095412
3,4,5-Triethylcyclopenta[b]pyrrole
CID 21095831
2,4-Dimethylidene-5-propan-2-ylidenepyridine
CID 23532167
N-(cyclohexen-1-yl)-2-methylpropan-1-imine
CID 53736477
N-(6-propylidenecyclohexa-1,3-dien-1-yl)propan-1-imine
CID 53831115

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,6E)-6-ethylidene-5-(2-methylprop-2-enylidene)-3,4-dihydropyridine?
The IUPAC name of ethane;(5Z,6E)-6-ethylidene-5-(2-methylprop-2-enylidene)-3,4-dihydropyridine (CID 143256515) is ethane;(5Z,6E)-6-ethylidene-5-(2-methylprop-2-enylidene)-3,4-dihydropyridine.
What is the SMILES notation for ethane;(5Z,6E)-6-ethylidene-5-(2-methylprop-2-enylidene)-3,4-dihydropyridine?
The canonical SMILES for ethane;(5Z,6E)-6-ethylidene-5-(2-methylprop-2-enylidene)-3,4-dihydropyridine is C=C(C)/C=C1\CCC=N\C1=C\C.CC.CC.
What is the InChIKey of ethane;(5Z,6E)-6-ethylidene-5-(2-methylprop-2-enylidene)-3,4-dihydropyridine?
The InChIKey is SHWWCTVDTYIHAV-UBMCEJFDSA-N. The full InChI is InChI=1S/C11H15N.2C2H6/c1-4-11-10(8-9(2)3)6-5-7-12-11;2*1-2/h4,7-8H,2,5-6H2,1,3H3;2*1-2H3/b10-8-,11-4-;;.
What are the key properties of ethane;(5Z,6E)-6-ethylidene-5-(2-methylprop-2-enylidene)-3,4-dihydropyridine?
ethane;(5Z,6E)-6-ethylidene-5-(2-methylprop-2-enylidene)-3,4-dihydropyridine has a molecular weight of 221.39 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,6E)-6-ethylidene-5-(2-methylprop-2-enylidene)-3,4-dihydropyridine is sourced from PubChem (CID 143256515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).