4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine;ethane

C13H25N — CID 144962467

IUPAC4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine;ethane
SMILESC=CC1=C(C=C)CNCC1.CC.CC
InChIInChI=1S/C9H13N.2C2H6/c1-3-8-5-6-10-7-9(8)4-2;2*1-2/h3-4,10H,1-2,5-7H2;2*1-2H3
InChIKeySWFOGKNSNFJPQQ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.70
Rot. Bonds2

About 4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine;ethane

4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine;ethane (PubChem CID 144962467) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine;ethane.

Molecular Properties

Compound Name4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine;ethane
PubChem CID144962467
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine;ethane
SMILESC=CC1=C(C=C)CNCC1.CC.CC
InChIInChI=1S/C9H13N.2C2H6/c1-3-8-5-6-10-7-9(8)4-2;2*1-2/h3-4,10H,1-2,5-7H2;2*1-2H3
InChIKeySWFOGKNSNFJPQQ-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine;ethane?
The IUPAC name of 4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine;ethane (CID 144962467) is 4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine;ethane.
What is the SMILES notation for 4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine;ethane?
The canonical SMILES for 4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine;ethane is C=CC1=C(C=C)CNCC1.CC.CC.
What is the InChIKey of 4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine;ethane?
The InChIKey is SWFOGKNSNFJPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.2C2H6/c1-3-8-5-6-10-7-9(8)4-2;2*1-2/h3-4,10H,1-2,5-7H2;2*1-2H3.
What are the key properties of 4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine;ethane?
4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine;ethane has a molecular weight of 195.35 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine;ethane is sourced from PubChem (CID 144962467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).