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

C8H13NO2 — CID 67472820

IUPAC2-hydroxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC1=CCN(C(=O)CO)CC1
InChIInChI=1S/C8H13NO2/c1-7-2-4-9(5-3-7)8(11)6-10/h2,10H,3-6H2,1H3
InChIKeyWYPFIQCLRCIATH-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.16
Rot. Bonds1

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

2-hydroxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 67472820) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-hydroxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID67472820
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-hydroxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC1=CCN(C(=O)CO)CC1
InChIInChI=1S/C8H13NO2/c1-7-2-4-9(5-3-7)8(11)6-10/h2,10H,3-6H2,1H3
InChIKeyWYPFIQCLRCIATH-UHFFFAOYSA-N
XLogP0.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.16
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

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CID 118551799
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CID 118553654
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CID 121367068
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CID 142521767
CID 142521767
CID 144108455
CID 144108455
CID 145701918
CID 145701918
CID 155686624
CID 155686624

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 67472820) is 2-hydroxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is CC1=CCN(C(=O)CO)CC1.
What is the InChIKey of 2-hydroxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is WYPFIQCLRCIATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7-2-4-9(5-3-7)8(11)6-10/h2,10H,3-6H2,1H3.
What are the key properties of 2-hydroxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
2-hydroxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 155.20 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 67472820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).