7-oxa-2-azaspiro[3.5]non-2-ene

C7H11NO — CID 150593362

IUPAC7-oxa-2-azaspiro[3.5]non-2-ene
SMILESC1=NCC12CCOCC2
InChIInChI=1S/C7H11NO/c1-3-9-4-2-7(1)5-8-6-7/h5H,1-4,6H2
InChIKeyIQILCPBHRYWUBG-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.87
Rot. Bonds

About 7-oxa-2-azaspiro[3.5]non-2-ene

7-oxa-2-azaspiro[3.5]non-2-ene (PubChem CID 150593362) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 7-oxa-2-azaspiro[3.5]non-2-ene.

Molecular Properties

Compound Name7-oxa-2-azaspiro[3.5]non-2-ene
PubChem CID150593362
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name7-oxa-2-azaspiro[3.5]non-2-ene
SMILESC1=NCC12CCOCC2
InChIInChI=1S/C7H11NO/c1-3-9-4-2-7(1)5-8-6-7/h5H,1-4,6H2
InChIKeyIQILCPBHRYWUBG-UHFFFAOYSA-N
XLogP0.87
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-oxa-2-azaspiro[3.5]non-2-ene?
The IUPAC name of 7-oxa-2-azaspiro[3.5]non-2-ene (CID 150593362) is 7-oxa-2-azaspiro[3.5]non-2-ene.
What is the SMILES notation for 7-oxa-2-azaspiro[3.5]non-2-ene?
The canonical SMILES for 7-oxa-2-azaspiro[3.5]non-2-ene is C1=NCC12CCOCC2.
What is the InChIKey of 7-oxa-2-azaspiro[3.5]non-2-ene?
The InChIKey is IQILCPBHRYWUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-9-4-2-7(1)5-8-6-7/h5H,1-4,6H2.
What are the key properties of 7-oxa-2-azaspiro[3.5]non-2-ene?
7-oxa-2-azaspiro[3.5]non-2-ene has a molecular weight of 125.17 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-2-azaspiro[3.5]non-2-ene is sourced from PubChem (CID 150593362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).