6-oxa-1,2-diazaspiro[2.5]oct-1-ene

C5H8N2O — CID 121210554

IUPAC6-oxa-1,2-diazaspiro[2.5]oct-1-ene
SMILESC1CC2(CCO1)N=N2
InChIInChI=1S/C5H8N2O/c1-3-8-4-2-5(1)6-7-5/h1-4H2
InChIKeyBAXSWOXZNGPXEL-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.96
Rot. Bonds

About 6-oxa-1,2-diazaspiro[2.5]oct-1-ene

6-oxa-1,2-diazaspiro[2.5]oct-1-ene (PubChem CID 121210554) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 6-oxa-1,2-diazaspiro[2.5]oct-1-ene.

Molecular Properties

Compound Name6-oxa-1,2-diazaspiro[2.5]oct-1-ene
PubChem CID121210554
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name6-oxa-1,2-diazaspiro[2.5]oct-1-ene
SMILESC1CC2(CCO1)N=N2
InChIInChI=1S/C5H8N2O/c1-3-8-4-2-5(1)6-7-5/h1-4H2
InChIKeyBAXSWOXZNGPXEL-UHFFFAOYSA-N
XLogP0.96
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxa-1,2-diazaspiro[2.5]oct-1-ene?
The IUPAC name of 6-oxa-1,2-diazaspiro[2.5]oct-1-ene (CID 121210554) is 6-oxa-1,2-diazaspiro[2.5]oct-1-ene.
What is the SMILES notation for 6-oxa-1,2-diazaspiro[2.5]oct-1-ene?
The canonical SMILES for 6-oxa-1,2-diazaspiro[2.5]oct-1-ene is C1CC2(CCO1)N=N2.
What is the InChIKey of 6-oxa-1,2-diazaspiro[2.5]oct-1-ene?
The InChIKey is BAXSWOXZNGPXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-3-8-4-2-5(1)6-7-5/h1-4H2.
What are the key properties of 6-oxa-1,2-diazaspiro[2.5]oct-1-ene?
6-oxa-1,2-diazaspiro[2.5]oct-1-ene has a molecular weight of 112.13 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-1,2-diazaspiro[2.5]oct-1-ene is sourced from PubChem (CID 121210554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).