9-chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione

C13H12ClNO3 — CID 10730427

IUPAC9-chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
SMILESCC1(C)Cc2ccc(Cl)cc2C2OC(=O)C(=O)N21
InChIInChI=1S/C13H12ClNO3/c1-13(2)6-7-3-4-8(14)5-9(7)11-15(13)10(16)12(17)18-11/h3-5,11H,6H2,1-2H3
InChIKeyRQUCABMUPJBEDO-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.06
Rot. Bonds

About 9-chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione

9-chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione (PubChem CID 10730427) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 9-chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione.

Molecular Properties

Compound Name9-chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
PubChem CID10730427
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name9-chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
SMILESCC1(C)Cc2ccc(Cl)cc2C2OC(=O)C(=O)N21
InChIInChI=1S/C13H12ClNO3/c1-13(2)6-7-3-4-8(14)5-9(7)11-15(13)10(16)12(17)18-11/h3-5,11H,6H2,1-2H3
InChIKeyRQUCABMUPJBEDO-UHFFFAOYSA-N
XLogP2.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
The IUPAC name of 9-chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione (CID 10730427) is 9-chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione.
What is the SMILES notation for 9-chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
The canonical SMILES for 9-chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione is CC1(C)Cc2ccc(Cl)cc2C2OC(=O)C(=O)N21.
What is the InChIKey of 9-chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
The InChIKey is RQUCABMUPJBEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-13(2)6-7-3-4-8(14)5-9(7)11-15(13)10(16)12(17)18-11/h3-5,11H,6H2,1-2H3.
What are the key properties of 9-chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
9-chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione has a molecular weight of 265.70 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-5,5-dimethyl-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione is sourced from PubChem (CID 10730427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).