5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

C9H15NO3 — CID 130149088

IUPAC5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCC1CCC(CO)N2C(=O)OCC12
InChIInChI=1S/C9H15NO3/c1-6-2-3-7(4-11)10-8(6)5-13-9(10)12/h6-8,11H,2-5H2,1H3
InChIKeyHGDBXZXNZNDUBA-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.60
Rot. Bonds1

About 5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 130149088) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID130149088
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCC1CCC(CO)N2C(=O)OCC12
InChIInChI=1S/C9H15NO3/c1-6-2-3-7(4-11)10-8(6)5-13-9(10)12/h6-8,11H,2-5H2,1H3
InChIKeyHGDBXZXNZNDUBA-UHFFFAOYSA-N
XLogP0.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one with MolForge

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Related Compounds

(5R,7S,7aR)-5-benzyl-7-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
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4-(hydroxymethyl)-3-(oxolan-2-yl)-1,3-oxazolidin-2-one
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6-(hydroxymethyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-4-one
CID 164875999
5-ethyl-6,7-dihydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 130151846
(5R,6S)-6-propyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one
CID 10486942
4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one
CID 115102521
(Z)-2-[(5R,6R,8R,8aR)-6,8-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-5-yl]-2-hydroxyethenediazonium
CID 11299361
(5R,7S,8S,8aR)-5-ethyl-8-hydroxy-7-phenylselanyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 23730293
(5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 10632038
(3aR,5aR,6S,9aS)-6-methyl-3a,4,5,5a,6,7,9,9a-octahydro-3H-[1,3]oxazolo[3,4-a]quinoline-1,8-dione
CID 101195543
4-(hydroxymethyl)-3-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one
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4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of 5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 130149088) is 5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for 5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for 5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is CC1CCC(CO)N2C(=O)OCC12.
What is the InChIKey of 5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is HGDBXZXNZNDUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6-2-3-7(4-11)10-8(6)5-13-9(10)12/h6-8,11H,2-5H2,1H3.
What are the key properties of 5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one has a molecular weight of 185.22 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 130149088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).