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

C10H17NO2 — CID 103430564

IUPAC2-hydroxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCC1=CCN(C(=O)C(C)(C)O)CC1
InChIInChI=1S/C10H17NO2/c1-8-4-6-11(7-5-8)9(12)10(2,3)13/h4,13H,5-7H2,1-3H3
InChIKeyNSLPLOBEQXGLGK-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds1

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

2-hydroxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (PubChem CID 103430564) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
PubChem CID103430564
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-hydroxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCC1=CCN(C(=O)C(C)(C)O)CC1
InChIInChI=1S/C10H17NO2/c1-8-4-6-11(7-5-8)9(12)10(2,3)13/h4,13H,5-7H2,1-3H3
InChIKeyNSLPLOBEQXGLGK-UHFFFAOYSA-N
XLogP0.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 170015202
(2S)-1-(4-ethyl-5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 170020128
(2S)-1-(4-ethenyl-5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 170020132
2-Hydroxy-2,4-dimethyl-1-piperidin-1-ylpent-3-en-1-one
CID 134971090
2-hydroxy-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 103430573
2-hydroxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 67472820
2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 70641609
1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 103430563
N-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-2-hydroxy-2-methylpropanamide
CID 123247018
ethane;2-hydroxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 144108455
1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxyethanone
CID 145701918
1-(4-ethyl-5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 170017905

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (CID 103430564) is 2-hydroxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is CC1=CCN(C(=O)C(C)(C)O)CC1.
What is the InChIKey of 2-hydroxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The InChIKey is NSLPLOBEQXGLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8-4-6-11(7-5-8)9(12)10(2,3)13/h4,13H,5-7H2,1-3H3.
What are the key properties of 2-hydroxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
2-hydroxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one has a molecular weight of 183.25 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is sourced from PubChem (CID 103430564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).