oxazepin-3-one

C5H5NO2 — CID 22648891

IUPACoxazepin-3-one
SMILESO=C1C=CC=CON1
InChIInChI=1S/C5H5NO2/c7-5-3-1-2-4-8-6-5/h1-4H,(H,6,7)
InChIKeyLKZKGRRDUWVNSR-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.12
Rot. Bonds

About oxazepin-3-one

oxazepin-3-one (PubChem CID 22648891) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is oxazepin-3-one.

Molecular Properties

Compound Nameoxazepin-3-one
PubChem CID22648891
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Nameoxazepin-3-one
SMILESO=C1C=CC=CON1
InChIInChI=1S/C5H5NO2/c7-5-3-1-2-4-8-6-5/h1-4H,(H,6,7)
InChIKeyLKZKGRRDUWVNSR-UHFFFAOYSA-N
XLogP0.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxazepin-3-one?
The IUPAC name of oxazepin-3-one (CID 22648891) is oxazepin-3-one.
What is the SMILES notation for oxazepin-3-one?
The canonical SMILES for oxazepin-3-one is O=C1C=CC=CON1.
What is the InChIKey of oxazepin-3-one?
The InChIKey is LKZKGRRDUWVNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c7-5-3-1-2-4-8-6-5/h1-4H,(H,6,7).
What are the key properties of oxazepin-3-one?
oxazepin-3-one has a molecular weight of 111.10 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxazepin-3-one is sourced from PubChem (CID 22648891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).