(1R,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one

C10H17NO2 — CID 134905834

IUPAC(1R,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCC[C@H]1OC(=O)N2CCCC[C@@]12C
InChIInChI=1S/C10H17NO2/c1-3-8-10(2)6-4-5-7-11(10)9(12)13-8/h8H,3-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyDRVFAWXUBKIANN-SCZZXKLOSA-N
MW183.25 g/mol
LogP2.16
Rot. Bonds1

About (1R,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one

(1R,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 134905834) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (1R,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name(1R,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID134905834
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(1R,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCC[C@H]1OC(=O)N2CCCC[C@@]12C
InChIInChI=1S/C10H17NO2/c1-3-8-10(2)6-4-5-7-11(10)9(12)13-8/h8H,3-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyDRVFAWXUBKIANN-SCZZXKLOSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one with MolForge

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Related Compounds

13-butyl-8-oxa-6-azatricyclo[7.3.1.01,6]tridecan-7-one
CID 566440
2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde
CID 14635962
(3S,4S,5R)-5-ethyl-3,4-dihydroxy-4-methyloxolan-2-one
CID 130875371
(3aS,9aR,9bS)-2,2-dimethyl-4-oxo-3a,6,7,8,9,9b-hexahydro-[1,3]dioxolo[4,5-a]indolizine-9a-carbonyl chloride
CID 11780716
3-oxo-1-phenyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-8a-carbonitrile
CID 14355226
(1S,2S,9R,10R)-10-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
CID 15939872
2-ethyl-3,3-dimethyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylic acid
CID 67900626
(1S,8R)-8-methyl-1-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 166444138
3,3-dimethyl-1-trimethylsilylazepan-2-one
CID 134877298
(1R,7S)-6-oxa-4-azatricyclo[5.2.1.01,4]dec-8-en-5-one
CID 25158909
(3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one
CID 134900789
3-ethyl-2-(1-methylcyclopentyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944865

Frequently Asked Questions

What is the IUPAC name of (1R,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of (1R,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 134905834) is (1R,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for (1R,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for (1R,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one is CC[C@H]1OC(=O)N2CCCC[C@@]12C.
What is the InChIKey of (1R,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is DRVFAWXUBKIANN-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-8-10(2)6-4-5-7-11(10)9(12)13-8/h8H,3-7H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of (1R,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one?
(1R,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one has a molecular weight of 183.25 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 134905834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).