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

C12H11NO3 — CID 18613770

IUPAC10b-methyl-5,6-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
SMILESCC12OC(=O)C(=O)N1CCc1ccccc12
InChIInChI=1S/C12H11NO3/c1-12-9-5-3-2-4-8(9)6-7-13(12)10(14)11(15)16-12/h2-5H,6-7H2,1H3
InChIKeyRVMRSFPRTWNPAI-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.80
Rot. Bonds

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

10b-methyl-5,6-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione (PubChem CID 18613770) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 10b-methyl-5,6-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione.

Molecular Properties

Compound Name10b-methyl-5,6-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
PubChem CID18613770
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name10b-methyl-5,6-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
SMILESCC12OC(=O)C(=O)N1CCc1ccccc12
InChIInChI=1S/C12H11NO3/c1-12-9-5-3-2-4-8(9)6-7-13(12)10(14)11(15)16-12/h2-5H,6-7H2,1H3
InChIKeyRVMRSFPRTWNPAI-UHFFFAOYSA-N
XLogP0.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.80
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 10b-methyl-5,6-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
The IUPAC name of 10b-methyl-5,6-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione (CID 18613770) is 10b-methyl-5,6-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione.
What is the SMILES notation for 10b-methyl-5,6-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
The canonical SMILES for 10b-methyl-5,6-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione is CC12OC(=O)C(=O)N1CCc1ccccc12.
What is the InChIKey of 10b-methyl-5,6-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
The InChIKey is RVMRSFPRTWNPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-12-9-5-3-2-4-8(9)6-7-13(12)10(14)11(15)16-12/h2-5H,6-7H2,1H3.
What are the key properties of 10b-methyl-5,6-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
10b-methyl-5,6-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione has a molecular weight of 217.22 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-methyl-5,6-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione is sourced from PubChem (CID 18613770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).