2,3-dimethyl-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine

C9H15NO — CID 118528711

IUPAC2,3-dimethyl-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESCC1OC2CCC=CN2C1C
InChIInChI=1S/C9H15NO/c1-7-8(2)11-9-5-3-4-6-10(7)9/h4,6-9H,3,5H2,1-2H3
InChIKeyVDEVQYAWDDJMMR-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.73
Rot. Bonds

About 2,3-dimethyl-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine

2,3-dimethyl-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine (PubChem CID 118528711) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2,3-dimethyl-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine.

Molecular Properties

Compound Name2,3-dimethyl-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine
PubChem CID118528711
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2,3-dimethyl-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESCC1OC2CCC=CN2C1C
InChIInChI=1S/C9H15NO/c1-7-8(2)11-9-5-3-4-6-10(7)9/h4,6-9H,3,5H2,1-2H3
InChIKeyVDEVQYAWDDJMMR-UHFFFAOYSA-N
XLogP1.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 58293713
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CID 151294839
5-methylcyclononene
CID 524408
(1Z)-6-methylcyclononene
CID 22177377
(3S)-3-methylcyclopentene
CID 11018803
(3S,3aR,7aS)-3-methyl-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 101160107
(1Z)-5-methylcycloundecene
CID 22177383
7,8-dimethylbicyclo[4.2.0]oct-2-ene
CID 58852239
1,2-dimethoxy-3,4-dihydro-2H-pyridine
CID 70085192
2-(3,4-dihydro-2H-pyridin-1-yl)-1-(1,2,3,4-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridine
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cyclohexene;2-methyloxirane
CID 159091274

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The IUPAC name of 2,3-dimethyl-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine (CID 118528711) is 2,3-dimethyl-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine.
What is the SMILES notation for 2,3-dimethyl-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The canonical SMILES for 2,3-dimethyl-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine is CC1OC2CCC=CN2C1C.
What is the InChIKey of 2,3-dimethyl-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The InChIKey is VDEVQYAWDDJMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-8(2)11-9-5-3-4-6-10(7)9/h4,6-9H,3,5H2,1-2H3.
What are the key properties of 2,3-dimethyl-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
2,3-dimethyl-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine has a molecular weight of 153.22 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine is sourced from PubChem (CID 118528711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).