8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C11H13NO2 — CID 130009664

IUPAC8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCCc1ccc2c(c1)OCCC(=O)N2
InChIInChI=1S/C11H13NO2/c1-2-8-3-4-9-10(7-8)14-6-5-11(13)12-9/h3-4,7H,2,5-6H2,1H3,(H,12,13)
InChIKeyFCCVMEQSEBOCHW-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.97
Rot. Bonds1

About 8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 130009664) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID130009664
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCCc1ccc2c(c1)OCCC(=O)N2
InChIInChI=1S/C11H13NO2/c1-2-8-3-4-9-10(7-8)14-6-5-11(13)12-9/h3-4,7H,2,5-6H2,1H3,(H,12,13)
InChIKeyFCCVMEQSEBOCHW-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 90351253
ethane;7-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 142558688
4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-8-carbonitrile
CID 84661392
6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216
N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]propane-1-sulfonamide
CID 110783827
7-(2-chloroethyl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82473509
9-bromo-7-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82233522
acetylene;6-ethyl-2,3-dihydro-1-benzofuran
CID 174280285
7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine
CID 90392310
N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]propanamide
CID 110790118
2,2-dimethyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)propanoic acid
CID 82485904
2-(3-oxo-4H-1,4-benzoxazin-7-yl)acetaldehyde
CID 130015202

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of 8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 130009664) is 8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for 8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for 8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is CCc1ccc2c(c1)OCCC(=O)N2.
What is the InChIKey of 8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is FCCVMEQSEBOCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-8-3-4-9-10(7-8)14-6-5-11(13)12-9/h3-4,7H,2,5-6H2,1H3,(H,12,13).
What are the key properties of 8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 191.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 130009664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).