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

C11H19NO2 — CID 134975645

IUPAC(1R)-1-ethyl-1,8a-dimethyl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCC[C@@]1(C)OC(=O)N2CCCCC21C
InChIInChI=1S/C11H19NO2/c1-4-11(3)10(2)7-5-6-8-12(10)9(13)14-11/h4-8H2,1-3H3/t10?,11-/m1/s1
InChIKeySYDBHSSFJUYALC-RRKGBCIJSA-N
MW197.28 g/mol
LogP2.55
Rot. Bonds1

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

(1R)-1-ethyl-1,8a-dimethyl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 134975645) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (1R)-1-ethyl-1,8a-dimethyl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name(1R)-1-ethyl-1,8a-dimethyl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID134975645
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(1R)-1-ethyl-1,8a-dimethyl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCC[C@@]1(C)OC(=O)N2CCCCC21C
InChIInChI=1S/C11H19NO2/c1-4-11(3)10(2)7-5-6-8-12(10)9(13)14-11/h4-8H2,1-3H3/t10?,11-/m1/s1
InChIKeySYDBHSSFJUYALC-RRKGBCIJSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-ethyl-1,8a-dimethyl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of (1R)-1-ethyl-1,8a-dimethyl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 134975645) is (1R)-1-ethyl-1,8a-dimethyl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for (1R)-1-ethyl-1,8a-dimethyl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for (1R)-1-ethyl-1,8a-dimethyl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is CC[C@@]1(C)OC(=O)N2CCCCC21C.
What is the InChIKey of (1R)-1-ethyl-1,8a-dimethyl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is SYDBHSSFJUYALC-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-11(3)10(2)7-5-6-8-12(10)9(13)14-11/h4-8H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of (1R)-1-ethyl-1,8a-dimethyl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
(1R)-1-ethyl-1,8a-dimethyl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one has a molecular weight of 197.28 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-ethyl-1,8a-dimethyl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 134975645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).