1-oxaspiro[4.4]non-3-en-9-one

C8H10O2 — CID 15891653

IUPAC1-oxaspiro[4.4]non-3-en-9-one
SMILESO=C1CCCC12C=CCO2
InChIInChI=1S/C8H10O2/c9-7-3-1-4-8(7)5-2-6-10-8/h2,5H,1,3-4,6H2
InChIKeyVZGVQADIWSFHBT-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.06
Rot. Bonds

About 1-oxaspiro[4.4]non-3-en-9-one

1-oxaspiro[4.4]non-3-en-9-one (PubChem CID 15891653) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-oxaspiro[4.4]non-3-en-9-one.

Molecular Properties

Compound Name1-oxaspiro[4.4]non-3-en-9-one
PubChem CID15891653
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1-oxaspiro[4.4]non-3-en-9-one
SMILESO=C1CCCC12C=CCO2
InChIInChI=1S/C8H10O2/c9-7-3-1-4-8(7)5-2-6-10-8/h2,5H,1,3-4,6H2
InChIKeyVZGVQADIWSFHBT-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R)-1-oxaspiro[4.4]non-3-en-9-one
CID 101093124
(2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one
CID 102184295
7-Oxabicyclo[2.2.1]hept-2-ene-1-carbaldehyde
CID 87407117
7-Oxabicyclo[2.2.1]hept-2-ene-1,4-dicarbaldehyde
CID 121300732
5-butyl-2H-furan-5-carbaldehyde
CID 174716932
3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-carbaldehyde
CID 175056604
1-Oxaspiro[4.5]dec-3-en-6-one
CID 14102934
(5S)-1-oxaspiro[4.4]non-3-en-9-one
CID 15891652
(2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one
CID 102184296
(5R)-6-oxaspiro[4.5]dec-9-en-4-one
CID 102184297
(5R)-6-oxaspiro[4.6]undec-10-en-4-one
CID 102184298
2-But-3-enoxy-2-ethenylcyclopentan-1-one
CID 102184310

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.4]non-3-en-9-one?
The IUPAC name of 1-oxaspiro[4.4]non-3-en-9-one (CID 15891653) is 1-oxaspiro[4.4]non-3-en-9-one.
What is the SMILES notation for 1-oxaspiro[4.4]non-3-en-9-one?
The canonical SMILES for 1-oxaspiro[4.4]non-3-en-9-one is O=C1CCCC12C=CCO2.
What is the InChIKey of 1-oxaspiro[4.4]non-3-en-9-one?
The InChIKey is VZGVQADIWSFHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-7-3-1-4-8(7)5-2-6-10-8/h2,5H,1,3-4,6H2.
What are the key properties of 1-oxaspiro[4.4]non-3-en-9-one?
1-oxaspiro[4.4]non-3-en-9-one has a molecular weight of 138.17 g/mol, XLogP of 1.06, 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-3-en-9-one is sourced from PubChem (CID 15891653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).