7-amino-6,8-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C11H14N2O2 — CID 82230445

IUPAC7-amino-6,8-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCc1cc2c(c(C)c1N)NC(=O)CCO2
InChIInChI=1S/C11H14N2O2/c1-6-5-8-11(7(2)10(6)12)13-9(14)3-4-15-8/h5H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyWPGZAGHAALSFRR-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.61
Rot. Bonds

About 7-amino-6,8-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

7-amino-6,8-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 82230445) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 7-amino-6,8-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name7-amino-6,8-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID82230445
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name7-amino-6,8-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCc1cc2c(c(C)c1N)NC(=O)CCO2
InChIInChI=1S/C11H14N2O2/c1-6-5-8-11(7(2)10(6)12)13-9(14)3-4-15-8/h5H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyWPGZAGHAALSFRR-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-Amino-3,3-dimethyl-2,5-dihydro-1,5-benzoxazepin-4-one
CID 44116901
3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide;hydrochloride
CID 12546917
3-amino-N-(4-butoxy-2,6-dimethylphenyl)propanamide;hydrochloride
CID 12546919
N-(3,3-dimethyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-7-yl)-3-phenylpropanamide
CID 16820495
N-(3,3-dimethyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-7-yl)-3,3-dimethylbutanamide
CID 16820498
2-(m-tolyloxy)-N-(3,3,5-trimethyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-7-yl)acetamide
CID 40887303
N-(5-allyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-7-yl)-2-(m-tolyloxy)acetamide
CID 40887510
N-(2,4-dimethylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide
CID 53037348
2-Amino-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one
CID 580230
3-amino-N-(2,6-dimethyl-4-propoxyphenyl)propanamide
CID 12546916
(3S)-3-amino-6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 90351195
6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 90351330

Frequently Asked Questions

What is the IUPAC name of 7-amino-6,8-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of 7-amino-6,8-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 82230445) is 7-amino-6,8-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for 7-amino-6,8-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for 7-amino-6,8-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is Cc1cc2c(c(C)c1N)NC(=O)CCO2.
What is the InChIKey of 7-amino-6,8-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is WPGZAGHAALSFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-6-5-8-11(7(2)10(6)12)13-9(14)3-4-15-8/h5H,3-4,12H2,1-2H3,(H,13,14).
What are the key properties of 7-amino-6,8-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
7-amino-6,8-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 206.24 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6,8-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 82230445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).