1-oxaspiro[4.4]non-2-en-4-one

C8H10O2 — CID 57080470

IUPAC1-oxaspiro[4.4]non-2-en-4-one
SMILESO=C1C=COC12CCCC2
InChIInChI=1S/C8H10O2/c9-7-3-6-10-8(7)4-1-2-5-8/h3,6H,1-2,4-5H2
InChIKeyNCMSRVGAYGDKPR-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.41
Rot. Bonds

About 1-oxaspiro[4.4]non-2-en-4-one

1-oxaspiro[4.4]non-2-en-4-one (PubChem CID 57080470) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-oxaspiro[4.4]non-2-en-4-one.

Molecular Properties

Compound Name1-oxaspiro[4.4]non-2-en-4-one
PubChem CID57080470
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1-oxaspiro[4.4]non-2-en-4-one
SMILESO=C1C=COC12CCCC2
InChIInChI=1S/C8H10O2/c9-7-3-6-10-8(7)4-1-2-5-8/h3,6H,1-2,4-5H2
InChIKeyNCMSRVGAYGDKPR-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.4]non-2-en-4-one?
The IUPAC name of 1-oxaspiro[4.4]non-2-en-4-one (CID 57080470) is 1-oxaspiro[4.4]non-2-en-4-one.
What is the SMILES notation for 1-oxaspiro[4.4]non-2-en-4-one?
The canonical SMILES for 1-oxaspiro[4.4]non-2-en-4-one is O=C1C=COC12CCCC2.
What is the InChIKey of 1-oxaspiro[4.4]non-2-en-4-one?
The InChIKey is NCMSRVGAYGDKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-7-3-6-10-8(7)4-1-2-5-8/h3,6H,1-2,4-5H2.
What are the key properties of 1-oxaspiro[4.4]non-2-en-4-one?
1-oxaspiro[4.4]non-2-en-4-one has a molecular weight of 138.17 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.4]non-2-en-4-one is sourced from PubChem (CID 57080470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).