4,5-dihydropyrido[3,2-f][1,4]oxazepin-3-one

C8H8N2O2 — CID 67223618

IUPAC4,5-dihydropyrido[3,2-f][1,4]oxazepin-3-one
SMILESO=C1COc2ncccc2CN1
InChIInChI=1S/C8H8N2O2/c11-7-5-12-8-6(4-10-7)2-1-3-9-8/h1-3H,4-5H2,(H,10,11)
InChIKeyIALHJTXIIOPLHR-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.09
Rot. Bonds

About 4,5-dihydropyrido[3,2-f][1,4]oxazepin-3-one

4,5-dihydropyrido[3,2-f][1,4]oxazepin-3-one (PubChem CID 67223618) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 4,5-dihydropyrido[3,2-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name4,5-dihydropyrido[3,2-f][1,4]oxazepin-3-one
PubChem CID67223618
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name4,5-dihydropyrido[3,2-f][1,4]oxazepin-3-one
SMILESO=C1COc2ncccc2CN1
InChIInChI=1S/C8H8N2O2/c11-7-5-12-8-6(4-10-7)2-1-3-9-8/h1-3H,4-5H2,(H,10,11)
InChIKeyIALHJTXIIOPLHR-UHFFFAOYSA-N
XLogP0.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydropyrido[3,2-f][1,4]oxazepin-3-one?
The IUPAC name of 4,5-dihydropyrido[3,2-f][1,4]oxazepin-3-one (CID 67223618) is 4,5-dihydropyrido[3,2-f][1,4]oxazepin-3-one.
What is the SMILES notation for 4,5-dihydropyrido[3,2-f][1,4]oxazepin-3-one?
The canonical SMILES for 4,5-dihydropyrido[3,2-f][1,4]oxazepin-3-one is O=C1COc2ncccc2CN1.
What is the InChIKey of 4,5-dihydropyrido[3,2-f][1,4]oxazepin-3-one?
The InChIKey is IALHJTXIIOPLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-7-5-12-8-6(4-10-7)2-1-3-9-8/h1-3H,4-5H2,(H,10,11).
What are the key properties of 4,5-dihydropyrido[3,2-f][1,4]oxazepin-3-one?
4,5-dihydropyrido[3,2-f][1,4]oxazepin-3-one has a molecular weight of 164.16 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydropyrido[3,2-f][1,4]oxazepin-3-one is sourced from PubChem (CID 67223618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).