2,2-dimethyl-4,6-dihydro-3H-furo[3,4-f][1,4]oxazepine-5,8-dione

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Basic information

CAS: 72900-55-1
Standard SMILES: CC1(C)CNC(=O)C2=C(O1)C(=O)OC2
InChIKey: OTRASLLSDJGAKQ-UHFFFAOYSA-N
Molecular formula: C9H11NO4
Average molar mass: 197.19 g/mol
Monoisotopic mass: 197.06880783

Names & identifiers

Preferred name: 2,2-dimethyl-4,6-dihydro-3H-furo[3,4-f][1,4]oxazepine-5,8-dione
IUPAC: 2,2-dimethyl-4,6-dihydro-3H-furo[3,4-f][1,4]oxazepine-5,8-dione

Names & synonyms

NSC33760072900-55-12,2-dimethyl-4,6-dihydro-3H-furo[3,4-f][1,4]oxazepine-5,8-dioneNSC 337600NSC-3376002,2-Dimethyl-3,4-dihydrofuro[3,4-f][1,4]oxazepine-5,8(2H,6H)-dione2,2-Dimethyl-3,4-dihydrofuro(3,4-f)(1,4)oxazepine-5,8(2H,6H)-dione9C8YUF9WX2DTXSID702232042,2-Dimethyl-2H,3H,4H,5H,6H,8H-furo[3,4-f][1,4]oxazepine-5,8-dione3,4-Dihydro-2,2-dimethylfuro[3,4-f]-1,4-oxazepine-5,8(2H,6H)-dioneFuro[3,4-f]-1,4-oxazepine-5,8(2H,6H)-dione, 3,4-dihydro-2,2-dimethyl-

Database identifiers

CAS: 72900-55-1
PubChem CID: 333732
DTXSID: DTXSID70223204
UNII: 9C8YUF9WX2

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 64.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 343

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Compound notes

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