(3aS,5aS,9aS)-3a,4,5,5a,9,9a-hexahydro-3H-[1,3]oxazolo[3,4-a]quinoline-1,8-dione

C11H13NO3 — CID 11095803

IUPAC(3aS,5aS,9aS)-3a,4,5,5a,9,9a-hexahydro-3H-[1,3]oxazolo[3,4-a]quinoline-1,8-dione
SMILESO=C1C=C[C@@H]2CC[C@H]3COC(=O)N3[C@H]2C1
InChIInChI=1S/C11H13NO3/c13-9-4-2-7-1-3-8-6-15-11(14)12(8)10(7)5-9/h2,4,7-8,10H,1,3,5-6H2/t7-,8-,10-/m0/s1
InChIKeyGKKZQNPAVQIJJP-NRPADANISA-N
MW207.23 g/mol
LogP1.11
Rot. Bonds

About (3aS,5aS,9aS)-3a,4,5,5a,9,9a-hexahydro-3H-[1,3]oxazolo[3,4-a]quinoline-1,8-dione

(3aS,5aS,9aS)-3a,4,5,5a,9,9a-hexahydro-3H-[1,3]oxazolo[3,4-a]quinoline-1,8-dione (PubChem CID 11095803) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (3aS,5aS,9aS)-3a,4,5,5a,9,9a-hexahydro-3H-[1,3]oxazolo[3,4-a]quinoline-1,8-dione.

Molecular Properties

Compound Name(3aS,5aS,9aS)-3a,4,5,5a,9,9a-hexahydro-3H-[1,3]oxazolo[3,4-a]quinoline-1,8-dione
PubChem CID11095803
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(3aS,5aS,9aS)-3a,4,5,5a,9,9a-hexahydro-3H-[1,3]oxazolo[3,4-a]quinoline-1,8-dione
SMILESO=C1C=C[C@@H]2CC[C@H]3COC(=O)N3[C@H]2C1
InChIInChI=1S/C11H13NO3/c13-9-4-2-7-1-3-8-6-15-11(14)12(8)10(7)5-9/h2,4,7-8,10H,1,3,5-6H2/t7-,8-,10-/m0/s1
InChIKeyGKKZQNPAVQIJJP-NRPADANISA-N
XLogP1.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aS,5aS,9aS)-3a,4,5,5a,9,9a-hexahydro-3H-[1,3]oxazolo[3,4-a]quinoline-1,8-dione with MolForge

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

Launch Full Analysis

Related Compounds

(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
(5R,10aR)-5-[(5R,10aR)-3-oxo-1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-5-yl]-1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one
CID 155328439
methyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate
CID 134963855
(4aS,8aS)-1,3,4,4a,8,8a-hexahydronaphthalene-2,7-dione
CID 101092885
4-acetylcyclopent-2-en-1-one
CID 16753251
(10aS)-5-methyl-3-oxo-1,5,5a,6,7,8,9,9a,10,10a-decahydro-[1,3]oxazolo[3,4-b]isoquinoline-9-carbaldehyde
CID 163389000
1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 13128360
3-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115006183
(7aS)-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-3,5-dione
CID 10678335
1,4a,8,8a-tetrahydronaphthalene-2,7-dione
CID 123164314
4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one
CID 155930758
5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 130149088

Frequently Asked Questions

What is the IUPAC name of (3aS,5aS,9aS)-3a,4,5,5a,9,9a-hexahydro-3H-[1,3]oxazolo[3,4-a]quinoline-1,8-dione?
The IUPAC name of (3aS,5aS,9aS)-3a,4,5,5a,9,9a-hexahydro-3H-[1,3]oxazolo[3,4-a]quinoline-1,8-dione (CID 11095803) is (3aS,5aS,9aS)-3a,4,5,5a,9,9a-hexahydro-3H-[1,3]oxazolo[3,4-a]quinoline-1,8-dione.
What is the SMILES notation for (3aS,5aS,9aS)-3a,4,5,5a,9,9a-hexahydro-3H-[1,3]oxazolo[3,4-a]quinoline-1,8-dione?
The canonical SMILES for (3aS,5aS,9aS)-3a,4,5,5a,9,9a-hexahydro-3H-[1,3]oxazolo[3,4-a]quinoline-1,8-dione is O=C1C=C[C@@H]2CC[C@H]3COC(=O)N3[C@H]2C1.
What is the InChIKey of (3aS,5aS,9aS)-3a,4,5,5a,9,9a-hexahydro-3H-[1,3]oxazolo[3,4-a]quinoline-1,8-dione?
The InChIKey is GKKZQNPAVQIJJP-NRPADANISA-N. The full InChI is InChI=1S/C11H13NO3/c13-9-4-2-7-1-3-8-6-15-11(14)12(8)10(7)5-9/h2,4,7-8,10H,1,3,5-6H2/t7-,8-,10-/m0/s1.
What are the key properties of (3aS,5aS,9aS)-3a,4,5,5a,9,9a-hexahydro-3H-[1,3]oxazolo[3,4-a]quinoline-1,8-dione?
(3aS,5aS,9aS)-3a,4,5,5a,9,9a-hexahydro-3H-[1,3]oxazolo[3,4-a]quinoline-1,8-dione has a molecular weight of 207.23 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5aS,9aS)-3a,4,5,5a,9,9a-hexahydro-3H-[1,3]oxazolo[3,4-a]quinoline-1,8-dione is sourced from PubChem (CID 11095803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).