10,10a-dihydro-5H-[1,3]oxazolo[3,4-b]isoquinoline-1,3-dione

C11H9NO3 — CID 2733656

IUPAC10,10a-dihydro-5H-[1,3]oxazolo[3,4-b]isoquinoline-1,3-dione
SMILESO=C1OC(=O)N2Cc3ccccc3CC12
InChIInChI=1S/C11H9NO3/c13-10-9-5-7-3-1-2-4-8(7)6-12(9)11(14)15-10/h1-4,9H,5-6H2
InChIKeyMFQCEFDMLXLCGB-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.09
Rot. Bonds

About 10,10a-dihydro-5H-[1,3]oxazolo[3,4-b]isoquinoline-1,3-dione

10,10a-dihydro-5H-[1,3]oxazolo[3,4-b]isoquinoline-1,3-dione (PubChem CID 2733656) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 10,10a-dihydro-5H-[1,3]oxazolo[3,4-b]isoquinoline-1,3-dione.

Molecular Properties

Compound Name10,10a-dihydro-5H-[1,3]oxazolo[3,4-b]isoquinoline-1,3-dione
PubChem CID2733656
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name10,10a-dihydro-5H-[1,3]oxazolo[3,4-b]isoquinoline-1,3-dione
SMILESO=C1OC(=O)N2Cc3ccccc3CC12
InChIInChI=1S/C11H9NO3/c13-10-9-5-7-3-1-2-4-8(7)6-12(9)11(14)15-10/h1-4,9H,5-6H2
InChIKeyMFQCEFDMLXLCGB-UHFFFAOYSA-N
XLogP1.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10,10a-dihydro-5H-[1,3]oxazolo[3,4-b]isoquinoline-1,3-dione?
The IUPAC name of 10,10a-dihydro-5H-[1,3]oxazolo[3,4-b]isoquinoline-1,3-dione (CID 2733656) is 10,10a-dihydro-5H-[1,3]oxazolo[3,4-b]isoquinoline-1,3-dione.
What is the SMILES notation for 10,10a-dihydro-5H-[1,3]oxazolo[3,4-b]isoquinoline-1,3-dione?
The canonical SMILES for 10,10a-dihydro-5H-[1,3]oxazolo[3,4-b]isoquinoline-1,3-dione is O=C1OC(=O)N2Cc3ccccc3CC12.
What is the InChIKey of 10,10a-dihydro-5H-[1,3]oxazolo[3,4-b]isoquinoline-1,3-dione?
The InChIKey is MFQCEFDMLXLCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-10-9-5-7-3-1-2-4-8(7)6-12(9)11(14)15-10/h1-4,9H,5-6H2.
What are the key properties of 10,10a-dihydro-5H-[1,3]oxazolo[3,4-b]isoquinoline-1,3-dione?
10,10a-dihydro-5H-[1,3]oxazolo[3,4-b]isoquinoline-1,3-dione has a molecular weight of 203.20 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10a-dihydro-5H-[1,3]oxazolo[3,4-b]isoquinoline-1,3-dione is sourced from PubChem (CID 2733656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).