9-amino-2,6,8-trimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C12H16N2O2 — CID 82231012

IUPAC9-amino-2,6,8-trimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCc1cc(C)c2c(c1N)OC(C)CC(=O)N2
InChIInChI=1S/C12H16N2O2/c1-6-4-7(2)11-12(10(6)13)16-8(3)5-9(15)14-11/h4,8H,5,13H2,1-3H3,(H,14,15)
InChIKeySXWZZCGYXADELG-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.00
Rot. Bonds

About 9-amino-2,6,8-trimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

9-amino-2,6,8-trimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 82231012) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 9-amino-2,6,8-trimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name9-amino-2,6,8-trimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID82231012
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name9-amino-2,6,8-trimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCc1cc(C)c2c(c1N)OC(C)CC(=O)N2
InChIInChI=1S/C12H16N2O2/c1-6-4-7(2)11-12(10(6)13)16-8(3)5-9(15)14-11/h4,8H,5,13H2,1-3H3,(H,14,15)
InChIKeySXWZZCGYXADELG-UHFFFAOYSA-N
XLogP2.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 9-amino-2,6,8-trimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-chloro-2,6-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82231186
9-amino-7-tert-butyl-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82232358
2,4,5,7-tetramethyl-2,3-dihydro-1,4-benzoxazin-8-amine
CID 82230487
9-amino-7-butyl-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82232360
2,5,7,8-tetramethyl-2,3-dihydrochromen-4-one
CID 43536410
7,8-dimethoxy-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82231747
(2R)-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-amine
CID 86718009
(2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine
CID 146610837
6-amino-5,8-dimethyl-4H-1,4-benzoxazin-3-one
CID 82229995
7-amino-6-ethyl-4-methyl-1,3-dihydroindol-2-one
CID 90089168
2-(hydroxymethyl)-5-methyl-3,6,8,9-tetrahydro-2H-furo[2,3-f]quinolin-7-one
CID 23369723
2,5,7,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82230891

Frequently Asked Questions

What is the IUPAC name of 9-amino-2,6,8-trimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of 9-amino-2,6,8-trimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 82231012) is 9-amino-2,6,8-trimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for 9-amino-2,6,8-trimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for 9-amino-2,6,8-trimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is Cc1cc(C)c2c(c1N)OC(C)CC(=O)N2.
What is the InChIKey of 9-amino-2,6,8-trimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is SXWZZCGYXADELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-6-4-7(2)11-12(10(6)13)16-8(3)5-9(15)14-11/h4,8H,5,13H2,1-3H3,(H,14,15).
What are the key properties of 9-amino-2,6,8-trimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
9-amino-2,6,8-trimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 220.27 g/mol, XLogP of 2.00, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2,6,8-trimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 82231012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).