1-(5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)ethanone

C13H12N2O2 — CID 58204331

IUPAC1-(5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)OCCn1ccnc1-2
InChIInChI=1S/C13H12N2O2/c1-9(16)10-2-3-11-12(8-10)17-7-6-15-5-4-14-13(11)15/h2-5,8H,6-7H2,1H3
InChIKeyYDTYENRNIAPXSZ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.15
Rot. Bonds1

About 1-(5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)ethanone

1-(5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)ethanone (PubChem CID 58204331) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)ethanone.

Molecular Properties

Compound Name1-(5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)ethanone
PubChem CID58204331
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name1-(5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)OCCn1ccnc1-2
InChIInChI=1S/C13H12N2O2/c1-9(16)10-2-3-11-12(8-10)17-7-6-15-5-4-14-13(11)15/h2-5,8H,6-7H2,1H3
InChIKeyYDTYENRNIAPXSZ-UHFFFAOYSA-N
XLogP2.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)ethanone?
The IUPAC name of 1-(5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)ethanone (CID 58204331) is 1-(5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)ethanone.
What is the SMILES notation for 1-(5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)ethanone?
The canonical SMILES for 1-(5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)ethanone is CC(=O)c1ccc2c(c1)OCCn1ccnc1-2.
What is the InChIKey of 1-(5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)ethanone?
The InChIKey is YDTYENRNIAPXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9(16)10-2-3-11-12(8-10)17-7-6-15-5-4-14-13(11)15/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-(5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)ethanone?
1-(5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)ethanone has a molecular weight of 228.25 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)ethanone is sourced from PubChem (CID 58204331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).