7-amino-9-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C11H14N2O2 — CID 82230446

IUPAC7-amino-9-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCCc1cc(N)cc2c1OCCC(=O)N2
InChIInChI=1S/C11H14N2O2/c1-2-7-5-8(12)6-9-11(7)15-4-3-10(14)13-9/h5-6H,2-4,12H2,1H3,(H,13,14)
InChIKeyDRTSRQFKQRXCOR-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.55
Rot. Bonds1

About 7-amino-9-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

7-amino-9-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 82230446) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 7-amino-9-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name7-amino-9-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID82230446
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name7-amino-9-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCCc1cc(N)cc2c1OCCC(=O)N2
InChIInChI=1S/C11H14N2O2/c1-2-7-5-8(12)6-9-11(7)15-4-3-10(14)13-9/h5-6H,2-4,12H2,1H3,(H,13,14)
InChIKeyDRTSRQFKQRXCOR-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-amino-9-ethyl-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

7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82230635
9-bromo-7-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82233522
7-acetyl-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82231827
8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 130009664
6-amino-8-bromo-4H-1,4-benzoxazin-3-one
CID 82231984
2,2-dimethyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)propanoic acid
CID 82485904
7-bromo-N-(4-ethylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-9-sulfonamide
CID 167344399
6-amino-7-ethyl-4H-1,4-benzoxazin-3-one
CID 19908782
8-ethyl-6-piperazin-1-yl-4H-1,4-benzoxazin-3-one
CID 82233048
8-ethyl-4H-1,4-benzoxazin-3-one
CID 68908542
N-(2-ethylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide
CID 110759122
N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]propanamide
CID 110790118

Frequently Asked Questions

What is the IUPAC name of 7-amino-9-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of 7-amino-9-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 82230446) is 7-amino-9-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for 7-amino-9-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for 7-amino-9-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is CCc1cc(N)cc2c1OCCC(=O)N2.
What is the InChIKey of 7-amino-9-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is DRTSRQFKQRXCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-7-5-8(12)6-9-11(7)15-4-3-10(14)13-9/h5-6H,2-4,12H2,1H3,(H,13,14).
What are the key properties of 7-amino-9-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
7-amino-9-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 206.24 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-9-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 82230446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).