7,8-dimethoxy-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one

C12H15NO4 — CID 82231745

IUPAC7,8-dimethoxy-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCOc1cc2c(cc1OC)N(C)C(=O)CCO2
InChIInChI=1S/C12H15NO4/c1-13-8-6-10(15-2)11(16-3)7-9(8)17-5-4-12(13)14/h6-7H,4-5H2,1-3H3
InChIKeyHEQWDJCZCLWRHD-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.45
Rot. Bonds2

About 7,8-dimethoxy-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one

7,8-dimethoxy-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one (PubChem CID 82231745) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 7,8-dimethoxy-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name7,8-dimethoxy-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
PubChem CID82231745
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name7,8-dimethoxy-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCOc1cc2c(cc1OC)N(C)C(=O)CCO2
InChIInChI=1S/C12H15NO4/c1-13-8-6-10(15-2)11(16-3)7-9(8)17-5-4-12(13)14/h6-7H,4-5H2,1-3H3
InChIKeyHEQWDJCZCLWRHD-UHFFFAOYSA-N
XLogP1.45
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The IUPAC name of 7,8-dimethoxy-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one (CID 82231745) is 7,8-dimethoxy-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one.
What is the SMILES notation for 7,8-dimethoxy-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The canonical SMILES for 7,8-dimethoxy-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one is COc1cc2c(cc1OC)N(C)C(=O)CCO2.
What is the InChIKey of 7,8-dimethoxy-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The InChIKey is HEQWDJCZCLWRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-13-8-6-10(15-2)11(16-3)7-9(8)17-5-4-12(13)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 7,8-dimethoxy-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
7,8-dimethoxy-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one has a molecular weight of 237.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one is sourced from PubChem (CID 82231745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).