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

C₁₃H₁₉NO — CID 163241810

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

1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one (PubChem CID 163241810) has the molecular formula C₁₃H₁₉NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one.

Molecular Properties

• Compound Name: 1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one
• PubChem CID: 163241810
• Molecular Formula: C₁₃H₁₉NO
• Molecular Weight: 205.30 g/mol
• Exact Mass: 205.15
• IUPAC Name: 1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one
• SMILES: C=CC1=C(C=C)NC(C(=O)C(C)C)CC1
• InChI: InChI=1S/C13H19NO/c1-5-10-7-8-12(13(15)9(3)4)14-11(10)6-2/h5-6,9,12,14H,1-2,7-8H2,3-4H3
• InChIKey: QFHSWORDYLXAPW-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	205.30
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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?

The IUPAC name of 1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one (CID 163241810) is 1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one.

What is the SMILES notation for 1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one?

The canonical SMILES for 1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one is C=CC1=C(C=C)NC(C(=O)C(C)C)CC1.

What is the InChIKey of 1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one?

The InChIKey is QFHSWORDYLXAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-10-7-8-12(13(15)9(3)4)14-11(10)6-2/h5-6,9,12,14H,1-2,7-8H2,3-4H3.

What are the key properties of 1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one?

1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one has a molecular weight of 205.30 g/mol, XLogP of 2.59, 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 is sourced from PubChem (CID 163241810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163241810 — identifiers, structure, computed properties (public domain)

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