1-(4-ethenyl-5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one

C12H19NO2 — CID 170017964

IUPAC1-(4-ethenyl-5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one
SMILESC=CC1=C(C)CN(C(=O)C(C)(C)O)CC1
InChIInChI=1S/C12H19NO2/c1-5-10-6-7-13(8-9(10)2)11(14)12(3,4)15/h5,15H,1,6-8H2,2-4H3
InChIKeyWLKKZICNGMGHHN-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.49
Rot. Bonds2

About 1-(4-ethenyl-5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one

1-(4-ethenyl-5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one (PubChem CID 170017964) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(4-ethenyl-5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethenyl-5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one
PubChem CID170017964
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(4-ethenyl-5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one
SMILESC=CC1=C(C)CN(C(=O)C(C)(C)O)CC1
InChIInChI=1S/C12H19NO2/c1-5-10-6-7-13(8-9(10)2)11(14)12(3,4)15/h5,15H,1,6-8H2,2-4H3
InChIKeyWLKKZICNGMGHHN-UHFFFAOYSA-N
XLogP1.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenyl-5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(4-ethenyl-5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one (CID 170017964) is 1-(4-ethenyl-5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-ethenyl-5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(4-ethenyl-5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one is C=CC1=C(C)CN(C(=O)C(C)(C)O)CC1.
What is the InChIKey of 1-(4-ethenyl-5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The InChIKey is WLKKZICNGMGHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-5-10-6-7-13(8-9(10)2)11(14)12(3,4)15/h5,15H,1,6-8H2,2-4H3.
What are the key properties of 1-(4-ethenyl-5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one?
1-(4-ethenyl-5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 170017964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).