1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one

C12H19NO2 — CID 164708105

IUPAC1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one
SMILESC[C@H](COC(C)(C)C)n1ccccc1=O
InChIInChI=1S/C12H19NO2/c1-10(9-15-12(2,3)4)13-8-6-5-7-11(13)14/h5-8,10H,9H2,1-4H3/t10-/m1/s1
InChIKeyQGEZTPNIAMGSOD-SNVBAGLBSA-N
MW209.29 g/mol
LogP2.22
Rot. Bonds3

About 1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one

1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one (PubChem CID 164708105) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one
PubChem CID164708105
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one
SMILESC[C@H](COC(C)(C)C)n1ccccc1=O
InChIInChI=1S/C12H19NO2/c1-10(9-15-12(2,3)4)13-8-6-5-7-11(13)14/h5-8,10H,9H2,1-4H3/t10-/m1/s1
InChIKeyQGEZTPNIAMGSOD-SNVBAGLBSA-N
XLogP2.22
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-methyl-2-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]propyl]-1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one
CID 167289186
1-pentan-3-ylpyridin-2-one
CID 90220799
1-[ethoxy(trimethylsilyl)methyl]pyridin-2-one
CID 66619672
1-(2-oxo-1-pyridinyl)ethyl acetate
CID 174565058
1-(1-methoxy-2-phenylsulfanylethyl)pyridin-2-one
CID 134278032
ethane;4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanamide
CID 153352786
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one
CID 112588356
tert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 134882925
N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline
CID 21043206
1-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105146670
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4,4,4-trifluoro-3-(2-oxo-1-pyridinyl)butyl]sulfanylbutanoate
CID 177219267
1-[(2R)-1-methoxypropan-2-yl]pyrrole-2-carbaldehyde
CID 141379812

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one?
The IUPAC name of 1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one (CID 164708105) is 1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one.
What is the SMILES notation for 1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one?
The canonical SMILES for 1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one is C[C@H](COC(C)(C)C)n1ccccc1=O.
What is the InChIKey of 1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one?
The InChIKey is QGEZTPNIAMGSOD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(9-15-12(2,3)4)13-8-6-5-7-11(13)14/h5-8,10H,9H2,1-4H3/t10-/m1/s1.
What are the key properties of 1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one?
1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyridin-2-one is sourced from PubChem (CID 164708105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).