ethane;(2E)-2-ethylidene-3-methylidenepyridine;prop-1-ene

C15H27N — CID 144833891

IUPACethane;(2E)-2-ethylidene-3-methylidenepyridine;prop-1-ene
SMILESC=CC.C=c1cccn/c1=C/C.CC.CC
InChIInChI=1S/C8H9N.C3H6.2C2H6/c1-3-8-7(2)5-4-6-9-8;1-3-2;2*1-2/h3-6H,2H2,1H3;3H,1H2,2H3;2*1-2H3/b8-3+;;;
InChIKeyZJZCKXPSMXWTRE-UYDUTXMUSA-N
MW221.39 g/mol
LogP3.54
Rot. Bonds

About ethane;(2E)-2-ethylidene-3-methylidenepyridine;prop-1-ene

ethane;(2E)-2-ethylidene-3-methylidenepyridine;prop-1-ene (PubChem CID 144833891) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is ethane;(2E)-2-ethylidene-3-methylidenepyridine;prop-1-ene.

Molecular Properties

Compound Nameethane;(2E)-2-ethylidene-3-methylidenepyridine;prop-1-ene
PubChem CID144833891
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Nameethane;(2E)-2-ethylidene-3-methylidenepyridine;prop-1-ene
SMILESC=CC.C=c1cccn/c1=C/C.CC.CC
InChIInChI=1S/C8H9N.C3H6.2C2H6/c1-3-8-7(2)5-4-6-9-8;1-3-2;2*1-2/h3-6H,2H2,1H3;3H,1H2,2H3;2*1-2H3/b8-3+;;;
InChIKeyZJZCKXPSMXWTRE-UYDUTXMUSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylidene-2-prop-2-enylidenepyridine
CID 72652539
ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine
CID 142972372
prop-1-ene;quinoline
CID 159640565
naphthalene;prop-1-ene
CID 22255850
(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine
CID 130370242
prop-1-ene;bis(pyridin-2-amine)
CID 19911264
isoquinoline;prop-1-ene
CID 142462490
buta-1,3-diene;2,3-dimethylpyridine;ethane
CID 145249818
3-ethylidene-2-(2-methylbut-2-enylidene)pyridine
CID 90959337
N-methylpyridin-2-amine;prop-1-ene
CID 90835690
(2E,3Z)-3-(2-methylpropylidene)-2-prop-2-enylidenepyridine
CID 143288900
ethane;3-ethenyl-2-methylsulfanylpyridine
CID 157029026

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-ethylidene-3-methylidenepyridine;prop-1-ene?
The IUPAC name of ethane;(2E)-2-ethylidene-3-methylidenepyridine;prop-1-ene (CID 144833891) is ethane;(2E)-2-ethylidene-3-methylidenepyridine;prop-1-ene.
What is the SMILES notation for ethane;(2E)-2-ethylidene-3-methylidenepyridine;prop-1-ene?
The canonical SMILES for ethane;(2E)-2-ethylidene-3-methylidenepyridine;prop-1-ene is C=CC.C=c1cccn/c1=C/C.CC.CC.
What is the InChIKey of ethane;(2E)-2-ethylidene-3-methylidenepyridine;prop-1-ene?
The InChIKey is ZJZCKXPSMXWTRE-UYDUTXMUSA-N. The full InChI is InChI=1S/C8H9N.C3H6.2C2H6/c1-3-8-7(2)5-4-6-9-8;1-3-2;2*1-2/h3-6H,2H2,1H3;3H,1H2,2H3;2*1-2H3/b8-3+;;;.
What are the key properties of ethane;(2E)-2-ethylidene-3-methylidenepyridine;prop-1-ene?
ethane;(2E)-2-ethylidene-3-methylidenepyridine;prop-1-ene has a molecular weight of 221.39 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-ethylidene-3-methylidenepyridine;prop-1-ene is sourced from PubChem (CID 144833891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).