5,5-dimethyl-7,11b-dihydro-6H-[1,3]oxazolo[2,3-a][2]benzazepine-2,3-dione

C14H15NO3 — CID 11021159

IUPAC5,5-dimethyl-7,11b-dihydro-6H-[1,3]oxazolo[2,3-a][2]benzazepine-2,3-dione
SMILESCC1(C)CCc2ccccc2C2OC(=O)C(=O)N21
InChIInChI=1S/C14H15NO3/c1-14(2)8-7-9-5-3-4-6-10(9)12-15(14)11(16)13(17)18-12/h3-6,12H,7-8H2,1-2H3
InChIKeyBAOPMHUMGDFJGD-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.80
Rot. Bonds

About 5,5-dimethyl-7,11b-dihydro-6H-[1,3]oxazolo[2,3-a][2]benzazepine-2,3-dione

5,5-dimethyl-7,11b-dihydro-6H-[1,3]oxazolo[2,3-a][2]benzazepine-2,3-dione (PubChem CID 11021159) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5,5-dimethyl-7,11b-dihydro-6H-[1,3]oxazolo[2,3-a][2]benzazepine-2,3-dione.

Molecular Properties

Compound Name5,5-dimethyl-7,11b-dihydro-6H-[1,3]oxazolo[2,3-a][2]benzazepine-2,3-dione
PubChem CID11021159
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name5,5-dimethyl-7,11b-dihydro-6H-[1,3]oxazolo[2,3-a][2]benzazepine-2,3-dione
SMILESCC1(C)CCc2ccccc2C2OC(=O)C(=O)N21
InChIInChI=1S/C14H15NO3/c1-14(2)8-7-9-5-3-4-6-10(9)12-15(14)11(16)13(17)18-12/h3-6,12H,7-8H2,1-2H3
InChIKeyBAOPMHUMGDFJGD-UHFFFAOYSA-N
XLogP1.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.80
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 5,5-dimethyl-7,11b-dihydro-6H-[1,3]oxazolo[2,3-a][2]benzazepine-2,3-dione?
The IUPAC name of 5,5-dimethyl-7,11b-dihydro-6H-[1,3]oxazolo[2,3-a][2]benzazepine-2,3-dione (CID 11021159) is 5,5-dimethyl-7,11b-dihydro-6H-[1,3]oxazolo[2,3-a][2]benzazepine-2,3-dione.
What is the SMILES notation for 5,5-dimethyl-7,11b-dihydro-6H-[1,3]oxazolo[2,3-a][2]benzazepine-2,3-dione?
The canonical SMILES for 5,5-dimethyl-7,11b-dihydro-6H-[1,3]oxazolo[2,3-a][2]benzazepine-2,3-dione is CC1(C)CCc2ccccc2C2OC(=O)C(=O)N21.
What is the InChIKey of 5,5-dimethyl-7,11b-dihydro-6H-[1,3]oxazolo[2,3-a][2]benzazepine-2,3-dione?
The InChIKey is BAOPMHUMGDFJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-14(2)8-7-9-5-3-4-6-10(9)12-15(14)11(16)13(17)18-12/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 5,5-dimethyl-7,11b-dihydro-6H-[1,3]oxazolo[2,3-a][2]benzazepine-2,3-dione?
5,5-dimethyl-7,11b-dihydro-6H-[1,3]oxazolo[2,3-a][2]benzazepine-2,3-dione has a molecular weight of 245.28 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-7,11b-dihydro-6H-[1,3]oxazolo[2,3-a][2]benzazepine-2,3-dione is sourced from PubChem (CID 11021159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).