1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,6-dimethylpyridin-4-one

C13H19NO3 — CID 106103103

IUPAC1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC1(O)CCOC1C
InChIInChI=1S/C13H19NO3/c1-9-6-12(15)7-10(2)14(9)8-13(16)4-5-17-11(13)3/h6-7,11,16H,4-5,8H2,1-3H3
InChIKeyHIIIFZGSRBNBCC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.01
Rot. Bonds2

About 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,6-dimethylpyridin-4-one

1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,6-dimethylpyridin-4-one (PubChem CID 106103103) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,6-dimethylpyridin-4-one
PubChem CID106103103
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC1(O)CCOC1C
InChIInChI=1S/C13H19NO3/c1-9-6-12(15)7-10(2)14(9)8-13(16)4-5-17-11(13)3/h6-7,11,16H,4-5,8H2,1-3H3
InChIKeyHIIIFZGSRBNBCC-UHFFFAOYSA-N
XLogP1.01
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiomorpholine-3,5-dione
CID 106103089
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]imidazolidine-2,4-dione
CID 106103142
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 114143758
1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,6-dimethylpyridin-4-one
CID 114757395
1-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]cyclopentane-1-carboxylic acid
CID 115434520
1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 114143768
2-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)oxolan-3-ol
CID 106103086
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylbenzoic acid
CID 106101989
3-(methoxymethyl)-2-methyloxolan-3-ol
CID 82719325
3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol
CID 82718020
2-amino-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-3-methylbenzoic acid
CID 106099714
3-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 106100120

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,6-dimethylpyridin-4-one (CID 106103103) is 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1CC1(O)CCOC1C.
What is the InChIKey of 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,6-dimethylpyridin-4-one?
The InChIKey is HIIIFZGSRBNBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-6-12(15)7-10(2)14(9)8-13(16)4-5-17-11(13)3/h6-7,11,16H,4-5,8H2,1-3H3.
What are the key properties of 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,6-dimethylpyridin-4-one?
1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,6-dimethylpyridin-4-one has a molecular weight of 237.30 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 106103103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).