5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one

C12H15NO2 — CID 82230318

IUPAC5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCc1ccc2c(c1C)OCCC(=O)N2C
InChIInChI=1S/C12H15NO2/c1-8-4-5-10-12(9(8)2)15-7-6-11(14)13(10)3/h4-5H,6-7H2,1-3H3
InChIKeyKIDGPJBFLQCZJN-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.05
Rot. Bonds

About 5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one

5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one (PubChem CID 82230318) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
PubChem CID82230318
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCc1ccc2c(c1C)OCCC(=O)N2C
InChIInChI=1S/C12H15NO2/c1-8-4-5-10-12(9(8)2)15-7-6-11(14)13(10)3/h4-5H,6-7H2,1-3H3
InChIKeyKIDGPJBFLQCZJN-UHFFFAOYSA-N
XLogP2.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82230995
9-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82233529
9-acetyl-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82230846
8-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82233528
(4Z)-4-hydroxyimino-8,9-dimethyl-2,3-dihydro-1-benzoxepin-5-one
CID 82242049
5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-carbaldehyde
CID 82230292
7,8-dichloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82232150
8-fluoro-4-methyl-1,4-benzoxazin-3-one
CID 66697398
5-fluoro-8-methyl-2,3-dihydrochromen-4-one
CID 55273706
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933
7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82499150
5-methyl-7-[methyl-[2-(methylamino)ethyl]amino]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82501361

Frequently Asked Questions

What is the IUPAC name of 5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The IUPAC name of 5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one (CID 82230318) is 5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one.
What is the SMILES notation for 5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The canonical SMILES for 5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one is Cc1ccc2c(c1C)OCCC(=O)N2C.
What is the InChIKey of 5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The InChIKey is KIDGPJBFLQCZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-4-5-10-12(9(8)2)15-7-6-11(14)13(10)3/h4-5H,6-7H2,1-3H3.
What are the key properties of 5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one?
5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one has a molecular weight of 205.26 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one is sourced from PubChem (CID 82230318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).