7,8-dichloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one

C10H9Cl2NO2 — CID 82232150

IUPAC7,8-dichloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCN1C(=O)CCOc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C10H9Cl2NO2/c1-13-8-4-6(11)7(12)5-9(8)15-3-2-10(13)14/h4-5H,2-3H2,1H3
InChIKeyFUKRYOOLQYOTOH-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.74
Rot. Bonds

About 7,8-dichloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one

7,8-dichloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one (PubChem CID 82232150) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is 7,8-dichloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name7,8-dichloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
PubChem CID82232150
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name7,8-dichloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCN1C(=O)CCOc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C10H9Cl2NO2/c1-13-8-4-6(11)7(12)5-9(8)15-3-2-10(13)14/h4-5H,2-3H2,1H3
InChIKeyFUKRYOOLQYOTOH-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82233528
5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-carbaldehyde
CID 82230292
7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82230995
10-methyl-9-oxo-2,3,7,8-tetrahydro-[1,4]dioxino[2,3-h][1,5]benzoxazepine-2-carbonitrile
CID 166848613
7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82484685
5-methyl-7-(3-methylbutyl)-2,3-dihydro-1,5-benzoxazepin-4-one
CID 156648301
7-(1-aminopropyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82496313
N,N-diethyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide
CID 110759162
7-(1-amino-2-hydroxypropan-2-yl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82480880
3-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)propanenitrile
CID 82474347
3-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)propanoic acid
CID 82232417
7-(azepane-1-carbonyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 110764143

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The IUPAC name of 7,8-dichloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one (CID 82232150) is 7,8-dichloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one.
What is the SMILES notation for 7,8-dichloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The canonical SMILES for 7,8-dichloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one is CN1C(=O)CCOc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 7,8-dichloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The InChIKey is FUKRYOOLQYOTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c1-13-8-4-6(11)7(12)5-9(8)15-3-2-10(13)14/h4-5H,2-3H2,1H3.
What are the key properties of 7,8-dichloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
7,8-dichloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one has a molecular weight of 246.09 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one is sourced from PubChem (CID 82232150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).