6,9-dimethyl-4,4a,7,8,8a,9-hexahydro-[1,2]oxazolo[5,4-g]isoquinolin-5-one

C12H16N2O2 — CID 142397950

IUPAC6,9-dimethyl-4,4a,7,8,8a,9-hexahydro-[1,2]oxazolo[5,4-g]isoquinolin-5-one
SMILESCC1c2oncc2CC2C(=O)N(C)CCC21
InChIInChI=1S/C12H16N2O2/c1-7-9-3-4-14(2)12(15)10(9)5-8-6-13-16-11(7)8/h6-7,9-10H,3-5H2,1-2H3
InChIKeySTYCNXBKOFOHSI-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.43
Rot. Bonds

About 6,9-dimethyl-4,4a,7,8,8a,9-hexahydro-[1,2]oxazolo[5,4-g]isoquinolin-5-one

6,9-dimethyl-4,4a,7,8,8a,9-hexahydro-[1,2]oxazolo[5,4-g]isoquinolin-5-one (PubChem CID 142397950) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6,9-dimethyl-4,4a,7,8,8a,9-hexahydro-[1,2]oxazolo[5,4-g]isoquinolin-5-one.

Molecular Properties

Compound Name6,9-dimethyl-4,4a,7,8,8a,9-hexahydro-[1,2]oxazolo[5,4-g]isoquinolin-5-one
PubChem CID142397950
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6,9-dimethyl-4,4a,7,8,8a,9-hexahydro-[1,2]oxazolo[5,4-g]isoquinolin-5-one
SMILESCC1c2oncc2CC2C(=O)N(C)CCC21
InChIInChI=1S/C12H16N2O2/c1-7-9-3-4-14(2)12(15)10(9)5-8-6-13-16-11(7)8/h6-7,9-10H,3-5H2,1-2H3
InChIKeySTYCNXBKOFOHSI-UHFFFAOYSA-N
XLogP1.43
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,9-dimethyl-4,4a,7,8,8a,9-hexahydro-[1,2]oxazolo[5,4-g]isoquinolin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,9-dimethyl-4,4a,7,8,8a,9-hexahydro-[1,2]oxazolo[5,4-g]isoquinolin-5-one?
The IUPAC name of 6,9-dimethyl-4,4a,7,8,8a,9-hexahydro-[1,2]oxazolo[5,4-g]isoquinolin-5-one (CID 142397950) is 6,9-dimethyl-4,4a,7,8,8a,9-hexahydro-[1,2]oxazolo[5,4-g]isoquinolin-5-one.
What is the SMILES notation for 6,9-dimethyl-4,4a,7,8,8a,9-hexahydro-[1,2]oxazolo[5,4-g]isoquinolin-5-one?
The canonical SMILES for 6,9-dimethyl-4,4a,7,8,8a,9-hexahydro-[1,2]oxazolo[5,4-g]isoquinolin-5-one is CC1c2oncc2CC2C(=O)N(C)CCC21.
What is the InChIKey of 6,9-dimethyl-4,4a,7,8,8a,9-hexahydro-[1,2]oxazolo[5,4-g]isoquinolin-5-one?
The InChIKey is STYCNXBKOFOHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7-9-3-4-14(2)12(15)10(9)5-8-6-13-16-11(7)8/h6-7,9-10H,3-5H2,1-2H3.
What are the key properties of 6,9-dimethyl-4,4a,7,8,8a,9-hexahydro-[1,2]oxazolo[5,4-g]isoquinolin-5-one?
6,9-dimethyl-4,4a,7,8,8a,9-hexahydro-[1,2]oxazolo[5,4-g]isoquinolin-5-one has a molecular weight of 220.27 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethyl-4,4a,7,8,8a,9-hexahydro-[1,2]oxazolo[5,4-g]isoquinolin-5-one is sourced from PubChem (CID 142397950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).