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

C13H21NO2 — CID 170018705

IUPAC1-(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one
SMILESC=CC1=C(CC)CN(C(=O)C(C)(C)O)CC1
InChIInChI=1S/C13H21NO2/c1-5-10-7-8-14(9-11(10)6-2)12(15)13(3,4)16/h5,16H,1,6-9H2,2-4H3
InChIKeyUZZMFRYAVSCRNV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.88
Rot. Bonds3

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

1-(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one (PubChem CID 170018705) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one
PubChem CID170018705
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one
SMILESC=CC1=C(CC)CN(C(=O)C(C)(C)O)CC1
InChIInChI=1S/C13H21NO2/c1-5-10-7-8-14(9-11(10)6-2)12(15)13(3,4)16/h5,16H,1,6-9H2,2-4H3
InChIKeyUZZMFRYAVSCRNV-UHFFFAOYSA-N
XLogP1.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.88
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-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one (CID 170018705) is 1-(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one is C=CC1=C(CC)CN(C(=O)C(C)(C)O)CC1.
What is the InChIKey of 1-(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The InChIKey is UZZMFRYAVSCRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-10-7-8-14(9-11(10)6-2)12(15)13(3,4)16/h5,16H,1,6-9H2,2-4H3.
What are the key properties of 1-(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one?
1-(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one has a molecular weight of 223.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 170018705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).