1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one;ethane

C15H25NO — CID 163241809

IUPAC1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one;ethane
SMILESC=CC1=C(C=C)NC(C(=O)C(C)C)CC1.CC
InChIInChI=1S/C13H19NO.C2H6/c1-5-10-7-8-12(13(15)9(3)4)14-11(10)6-2;1-2/h5-6,9,12,14H,1-2,7-8H2,3-4H3;1-2H3
InChIKeyJVAROPKCYPKYLO-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.62
Rot. Bonds4

About 1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one;ethane

1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one;ethane (PubChem CID 163241809) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one;ethane.

Molecular Properties

Compound Name1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one;ethane
PubChem CID163241809
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one;ethane
SMILESC=CC1=C(C=C)NC(C(=O)C(C)C)CC1.CC
InChIInChI=1S/C13H19NO.C2H6/c1-5-10-7-8-12(13(15)9(3)4)14-11(10)6-2;1-2/h5-6,9,12,14H,1-2,7-8H2,3-4H3;1-2H3
InChIKeyJVAROPKCYPKYLO-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one;ethane?
The IUPAC name of 1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one;ethane (CID 163241809) is 1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one;ethane.
What is the SMILES notation for 1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one;ethane?
The canonical SMILES for 1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one;ethane is C=CC1=C(C=C)NC(C(=O)C(C)C)CC1.CC.
What is the InChIKey of 1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one;ethane?
The InChIKey is JVAROPKCYPKYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C2H6/c1-5-10-7-8-12(13(15)9(3)4)14-11(10)6-2;1-2/h5-6,9,12,14H,1-2,7-8H2,3-4H3;1-2H3.
What are the key properties of 1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one;ethane?
1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one;ethane has a molecular weight of 235.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one;ethane is sourced from PubChem (CID 163241809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).