5-methyl-1,3a,5,6-tetrahydropyrano[3,2-d][1,3]oxazol-2-one

C7H9NO3 — CID 140985534

IUPAC5-methyl-1,3a,5,6-tetrahydropyrano[3,2-d][1,3]oxazol-2-one
SMILESCC1CC=C2NC(=O)OC2O1
InChIInChI=1S/C7H9NO3/c1-4-2-3-5-6(10-4)11-7(9)8-5/h3-4,6H,2H2,1H3,(H,8,9)
InChIKeyVEAZJYOQAKZVPJ-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.75
Rot. Bonds

About 5-methyl-1,3a,5,6-tetrahydropyrano[3,2-d][1,3]oxazol-2-one

5-methyl-1,3a,5,6-tetrahydropyrano[3,2-d][1,3]oxazol-2-one (PubChem CID 140985534) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 5-methyl-1,3a,5,6-tetrahydropyrano[3,2-d][1,3]oxazol-2-one.

Molecular Properties

Compound Name5-methyl-1,3a,5,6-tetrahydropyrano[3,2-d][1,3]oxazol-2-one
PubChem CID140985534
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name5-methyl-1,3a,5,6-tetrahydropyrano[3,2-d][1,3]oxazol-2-one
SMILESCC1CC=C2NC(=O)OC2O1
InChIInChI=1S/C7H9NO3/c1-4-2-3-5-6(10-4)11-7(9)8-5/h3-4,6H,2H2,1H3,(H,8,9)
InChIKeyVEAZJYOQAKZVPJ-UHFFFAOYSA-N
XLogP0.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 70546334
CID 70546334
ethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen
CID 144512967
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CID 130892046
2-(2-methyl-2,3-dihydrofuran-5-yl)-2-oxoacetaldehyde
CID 174939970
2-methyl-1,3-oxazolidin-5-one
CID 19595572
(3S,8S)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
CID 706401
3a,4,7,7a-tetrahydroisoindole-1,3-dione;ethane
CID 90971998
4,6-dimethyl-5,7-dioxa-2-azabicyclo[7.2.2]trideca-1(11),9,12-trien-8-one
CID 23468294
5-(2-sulfanylpropan-2-yl)-1,3-oxazolidine-2,4-dione
CID 167083528
5-(4,4-dimethylcyclohexyl)-1,3-oxazolidin-2-one
CID 130596283
3-methyl-4-oxa-1-azaspiro[5.5]undecan-5-one
CID 22689088
N-[(2,6-dimethyl-3,6-dihydro-2H-pyran-5-yl)methylidene]hydroxylamine
CID 74999405

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3a,5,6-tetrahydropyrano[3,2-d][1,3]oxazol-2-one?
The IUPAC name of 5-methyl-1,3a,5,6-tetrahydropyrano[3,2-d][1,3]oxazol-2-one (CID 140985534) is 5-methyl-1,3a,5,6-tetrahydropyrano[3,2-d][1,3]oxazol-2-one.
What is the SMILES notation for 5-methyl-1,3a,5,6-tetrahydropyrano[3,2-d][1,3]oxazol-2-one?
The canonical SMILES for 5-methyl-1,3a,5,6-tetrahydropyrano[3,2-d][1,3]oxazol-2-one is CC1CC=C2NC(=O)OC2O1.
What is the InChIKey of 5-methyl-1,3a,5,6-tetrahydropyrano[3,2-d][1,3]oxazol-2-one?
The InChIKey is VEAZJYOQAKZVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4-2-3-5-6(10-4)11-7(9)8-5/h3-4,6H,2H2,1H3,(H,8,9).
What are the key properties of 5-methyl-1,3a,5,6-tetrahydropyrano[3,2-d][1,3]oxazol-2-one?
5-methyl-1,3a,5,6-tetrahydropyrano[3,2-d][1,3]oxazol-2-one has a molecular weight of 155.15 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3a,5,6-tetrahydropyrano[3,2-d][1,3]oxazol-2-one is sourced from PubChem (CID 140985534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).