7-amino-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one

C11H14N2O2 — CID 82230427

IUPAC7-amino-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
SMILESCC1(C)CC(=O)Nc2cc(N)ccc2O1
InChIInChI=1S/C11H14N2O2/c1-11(2)6-10(14)13-8-5-7(12)3-4-9(8)15-11/h3-5H,6,12H2,1-2H3,(H,13,14)
InChIKeyLQVVEPSWVJMYJI-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.77
Rot. Bonds

About 7-amino-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one

7-amino-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one (PubChem CID 82230427) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 7-amino-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name7-amino-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
PubChem CID82230427
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name7-amino-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
SMILESCC1(C)CC(=O)Nc2cc(N)ccc2O1
InChIInChI=1S/C11H14N2O2/c1-11(2)6-10(14)13-8-5-7(12)3-4-9(8)15-11/h3-5H,6,12H2,1-2H3,(H,13,14)
InChIKeyLQVVEPSWVJMYJI-UHFFFAOYSA-N
XLogP1.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
CID 104523490
6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride
CID 131637567
N-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide
CID 94980333
7-bromo-8-fluoro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
CID 104523606
2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-8-carboxylic acid
CID 82231700
2,2,6,8-tetramethyl-3,5-dihydro-1,5-benzoxazepin-4-one
CID 104523498
3-(2,2-dimethyl-3H-1-benzofuran-5-yl)aniline
CID 62324887
4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)oxy]aniline
CID 14011462
2,2,3,3-tetramethyl-1-benzofuran-5-amine
CID 141279803
6-amino-3-methyl-3,4-dihydro-1,4-benzoxazin-2-one
CID 115096284
(2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one
CID 25417253
2,2,3,3-tetramethyl-1,4-benzodioxin-6-amine
CID 117045878

Frequently Asked Questions

What is the IUPAC name of 7-amino-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one?
The IUPAC name of 7-amino-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one (CID 82230427) is 7-amino-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one.
What is the SMILES notation for 7-amino-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one?
The canonical SMILES for 7-amino-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one is CC1(C)CC(=O)Nc2cc(N)ccc2O1.
What is the InChIKey of 7-amino-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one?
The InChIKey is LQVVEPSWVJMYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(2)6-10(14)13-8-5-7(12)3-4-9(8)15-11/h3-5H,6,12H2,1-2H3,(H,13,14).
What are the key properties of 7-amino-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one?
7-amino-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one has a molecular weight of 206.25 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one is sourced from PubChem (CID 82230427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).