8-fluoro-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one

C8H9FN2O2 — CID 155065012

IUPAC8-fluoro-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one
SMILESO=c1[nH]c2c(cc1F)OCCNC2
InChIInChI=1S/C8H9FN2O2/c9-5-3-7-6(11-8(5)12)4-10-1-2-13-7/h3,10H,1-2,4H2,(H,11,12)
InChIKeyXEAGUNPEMWUYSQ-UHFFFAOYSA-N
MW184.17 g/mol
LogP-0.00
Rot. Bonds

About 8-fluoro-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one

8-fluoro-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one (PubChem CID 155065012) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 8-fluoro-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one.

Molecular Properties

Compound Name8-fluoro-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one
PubChem CID155065012
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name8-fluoro-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one
SMILESO=c1[nH]c2c(cc1F)OCCNC2
InChIInChI=1S/C8H9FN2O2/c9-5-3-7-6(11-8(5)12)4-10-1-2-13-7/h3,10H,1-2,4H2,(H,11,12)
InChIKeyXEAGUNPEMWUYSQ-UHFFFAOYSA-N
XLogP-0.00
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one?
The IUPAC name of 8-fluoro-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one (CID 155065012) is 8-fluoro-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one.
What is the SMILES notation for 8-fluoro-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one?
The canonical SMILES for 8-fluoro-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one is O=c1[nH]c2c(cc1F)OCCNC2.
What is the InChIKey of 8-fluoro-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one?
The InChIKey is XEAGUNPEMWUYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c9-5-3-7-6(11-8(5)12)4-10-1-2-13-7/h3,10H,1-2,4H2,(H,11,12).
What are the key properties of 8-fluoro-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one?
8-fluoro-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one has a molecular weight of 184.17 g/mol, XLogP of -0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one is sourced from PubChem (CID 155065012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).