1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone

C16H15NO2 — CID 135039243

IUPAC1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)Nc1cc(C)ccc1OC2
InChIInChI=1S/C16H15NO2/c1-10-3-6-16-15(7-10)17-14-8-12(11(2)18)4-5-13(14)9-19-16/h3-8,17H,9H2,1-2H3
InChIKeyGIGVZDOLTJGRGA-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.83
Rot. Bonds1

About 1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone

1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone (PubChem CID 135039243) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone
PubChem CID135039243
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)Nc1cc(C)ccc1OC2
InChIInChI=1S/C16H15NO2/c1-10-3-6-16-15(7-10)17-14-8-12(11(2)18)4-5-13(14)9-19-16/h3-8,17H,9H2,1-2H3
InChIKeyGIGVZDOLTJGRGA-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone
CID 135039301
fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
7-methyl-1,4-dihydro-3,1-benzoxazin-2-one;molecular hydrogen
CID 144928838
6-(3-methylbenzoyl)-4H-1,4-benzoxazin-3-one
CID 43161468
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen
CID 162521220
5-acetyl-1-benzofuran-3-one
CID 23008718
7-acetyl-4,5-dihydro-1-benzoxepin-3-one
CID 11264169
1-(2-sulfanylidene-3,4-dihydro-1H-quinazolin-7-yl)ethanone
CID 84779156
6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4H-1,4-benzoxazin-3-one
CID 45286055
1-(7-chloro-10H-phenoxazin-2-yl)ethanone
CID 170632598
6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110763765

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone?
The IUPAC name of 1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone (CID 135039243) is 1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone?
The canonical SMILES for 1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone is CC(=O)c1ccc2c(c1)Nc1cc(C)ccc1OC2.
What is the InChIKey of 1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone?
The InChIKey is GIGVZDOLTJGRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-10-3-6-16-15(7-10)17-14-8-12(11(2)18)4-5-13(14)9-19-16/h3-8,17H,9H2,1-2H3.
What are the key properties of 1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone?
1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone has a molecular weight of 253.30 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone is sourced from PubChem (CID 135039243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).