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

C11H9NO3 — CID 58901964

IUPAC(10aR)-5,10a-dihydro-1H-[1,3]oxazolo[3,4-b]isoquinoline-3,10-dione
SMILESO=C1c2ccccc2CN2C(=O)OC[C@H]12
InChIInChI=1S/C11H9NO3/c13-10-8-4-2-1-3-7(8)5-12-9(10)6-15-11(12)14/h1-4,9H,5-6H2/t9-/m1/s1
InChIKeyXGHBWTYPGMFCBV-SECBINFHSA-N
MW203.20 g/mol
LogP1.20
Rot. Bonds

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

(10aR)-5,10a-dihydro-1H-[1,3]oxazolo[3,4-b]isoquinoline-3,10-dione (PubChem CID 58901964) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is (10aR)-5,10a-dihydro-1H-[1,3]oxazolo[3,4-b]isoquinoline-3,10-dione.

Molecular Properties

Compound Name(10aR)-5,10a-dihydro-1H-[1,3]oxazolo[3,4-b]isoquinoline-3,10-dione
PubChem CID58901964
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name(10aR)-5,10a-dihydro-1H-[1,3]oxazolo[3,4-b]isoquinoline-3,10-dione
SMILESO=C1c2ccccc2CN2C(=O)OC[C@H]12
InChIInChI=1S/C11H9NO3/c13-10-8-4-2-1-3-7(8)5-12-9(10)6-15-11(12)14/h1-4,9H,5-6H2/t9-/m1/s1
InChIKeyXGHBWTYPGMFCBV-SECBINFHSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (10aR)-5,10a-dihydro-1H-[1,3]oxazolo[3,4-b]isoquinoline-3,10-dione?
The IUPAC name of (10aR)-5,10a-dihydro-1H-[1,3]oxazolo[3,4-b]isoquinoline-3,10-dione (CID 58901964) is (10aR)-5,10a-dihydro-1H-[1,3]oxazolo[3,4-b]isoquinoline-3,10-dione.
What is the SMILES notation for (10aR)-5,10a-dihydro-1H-[1,3]oxazolo[3,4-b]isoquinoline-3,10-dione?
The canonical SMILES for (10aR)-5,10a-dihydro-1H-[1,3]oxazolo[3,4-b]isoquinoline-3,10-dione is O=C1c2ccccc2CN2C(=O)OC[C@H]12.
What is the InChIKey of (10aR)-5,10a-dihydro-1H-[1,3]oxazolo[3,4-b]isoquinoline-3,10-dione?
The InChIKey is XGHBWTYPGMFCBV-SECBINFHSA-N. The full InChI is InChI=1S/C11H9NO3/c13-10-8-4-2-1-3-7(8)5-12-9(10)6-15-11(12)14/h1-4,9H,5-6H2/t9-/m1/s1.
What are the key properties of (10aR)-5,10a-dihydro-1H-[1,3]oxazolo[3,4-b]isoquinoline-3,10-dione?
(10aR)-5,10a-dihydro-1H-[1,3]oxazolo[3,4-b]isoquinoline-3,10-dione has a molecular weight of 203.20 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10aR)-5,10a-dihydro-1H-[1,3]oxazolo[3,4-b]isoquinoline-3,10-dione is sourced from PubChem (CID 58901964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).