(3E,4Z)-3,4-di(ethylidene)pyridine;ethane

C13H23N — CID 142094935

IUPAC(3E,4Z)-3,4-di(ethylidene)pyridine;ethane
SMILESC/C=c1/ccnc/c1=C/C.CC.CC
InChIInChI=1S/C9H11N.2C2H6/c1-3-8-5-6-10-7-9(8)4-2;2*1-2/h3-7H,1-2H3;2*1-2H3/b8-3-,9-4-;;
InChIKeyLRJRJSIMZNIDEZ-DKKFFLFYSA-N
MW193.33 g/mol
LogP2.73
Rot. Bonds

About (3E,4Z)-3,4-di(ethylidene)pyridine;ethane

(3E,4Z)-3,4-di(ethylidene)pyridine;ethane (PubChem CID 142094935) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (3E,4Z)-3,4-di(ethylidene)pyridine;ethane.

Molecular Properties

Compound Name(3E,4Z)-3,4-di(ethylidene)pyridine;ethane
PubChem CID142094935
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(3E,4Z)-3,4-di(ethylidene)pyridine;ethane
SMILESC/C=c1/ccnc/c1=C/C.CC.CC
InChIInChI=1S/C9H11N.2C2H6/c1-3-8-5-6-10-7-9(8)4-2;2*1-2/h3-7H,1-2H3;2*1-2H3/b8-3-,9-4-;;
InChIKeyLRJRJSIMZNIDEZ-DKKFFLFYSA-N
XLogP2.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 19879720
3-Azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
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CID 91428366
(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
CID 126516076
(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
CID 142433312
6-[(Z)-3-fluoro-2-methylprop-1-enyl]-5-methyl-4H-azepine
CID 142943295
3-Fluoro-3,5-dimethylazepine
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(4Z)-N-ethenyl-4,5-difluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
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(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 143759855
(Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 145480550
(4E)-4-[(3Z,5Z)-7-fluoro-3-methyl-2-methylidenehepta-3,5-dienylidene]-3H-pyridine
CID 156341896
(E,2Z)-2-ethylidene-N-[(Z)-1-fluoro-2-methylbut-1-enyl]-3-methylhept-3-en-1-imine
CID 173807900

Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-3,4-di(ethylidene)pyridine;ethane?
The IUPAC name of (3E,4Z)-3,4-di(ethylidene)pyridine;ethane (CID 142094935) is (3E,4Z)-3,4-di(ethylidene)pyridine;ethane.
What is the SMILES notation for (3E,4Z)-3,4-di(ethylidene)pyridine;ethane?
The canonical SMILES for (3E,4Z)-3,4-di(ethylidene)pyridine;ethane is C/C=c1/ccnc/c1=C/C.CC.CC.
What is the InChIKey of (3E,4Z)-3,4-di(ethylidene)pyridine;ethane?
The InChIKey is LRJRJSIMZNIDEZ-DKKFFLFYSA-N. The full InChI is InChI=1S/C9H11N.2C2H6/c1-3-8-5-6-10-7-9(8)4-2;2*1-2/h3-7H,1-2H3;2*1-2H3/b8-3-,9-4-;;.
What are the key properties of (3E,4Z)-3,4-di(ethylidene)pyridine;ethane?
(3E,4Z)-3,4-di(ethylidene)pyridine;ethane has a molecular weight of 193.33 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-3,4-di(ethylidene)pyridine;ethane is sourced from PubChem (CID 142094935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).