1-azaspiro[4.4]non-2-ene-4,9-dione

C8H9NO2 — CID 175921836

IUPAC1-azaspiro[4.4]non-2-ene-4,9-dione
SMILESO=C1C=CNC12CCCC2=O
InChIInChI=1S/C8H9NO2/c10-6-2-1-4-8(6)7(11)3-5-9-8/h3,5,9H,1-2,4H2
InChIKeyRQBVYTABYFQQEC-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.16
Rot. Bonds

About 1-azaspiro[4.4]non-2-ene-4,9-dione

1-azaspiro[4.4]non-2-ene-4,9-dione (PubChem CID 175921836) has the molecular formula C8H9NO2 and a molecular weight of 151.17 g/mol. Its IUPAC name is 1-azaspiro[4.4]non-2-ene-4,9-dione.

Molecular Properties

Compound Name1-azaspiro[4.4]non-2-ene-4,9-dione
PubChem CID175921836
Molecular FormulaC8H9NO2
Molecular Weight151.17 g/mol
Exact Mass151.06
IUPAC Name1-azaspiro[4.4]non-2-ene-4,9-dione
SMILESO=C1C=CNC12CCCC2=O
InChIInChI=1S/C8H9NO2/c10-6-2-1-4-8(6)7(11)3-5-9-8/h3,5,9H,1-2,4H2
InChIKeyRQBVYTABYFQQEC-UHFFFAOYSA-N
XLogP0.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 130765311
3,3-difluoro-1,2-dihydropyridin-4-one
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dispiro[2.0.34.43]undecan-11-one
CID 121217052
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CID 54555394
(2R)-2-hydroxy-2-methylcyclopentan-1-one
CID 13397596
(5R)-9-methylidenespiro[4.4]nonan-4-one
CID 101143196
spiro[5.6]dodecane-5,12-dione
CID 534624
spiro[13.14]octacosan-28-one
CID 12738452
4,4-dioxo-4λ6-thiaspiro[2.5]octan-8-one
CID 169147628
(5R)-1-oxaspiro[4.4]nonan-9-one
CID 10630574
2,3,3-trihydroxy-2-methylcyclohexan-1-one
CID 67931536

Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[4.4]non-2-ene-4,9-dione?
The IUPAC name of 1-azaspiro[4.4]non-2-ene-4,9-dione (CID 175921836) is 1-azaspiro[4.4]non-2-ene-4,9-dione.
What is the SMILES notation for 1-azaspiro[4.4]non-2-ene-4,9-dione?
The canonical SMILES for 1-azaspiro[4.4]non-2-ene-4,9-dione is O=C1C=CNC12CCCC2=O.
What is the InChIKey of 1-azaspiro[4.4]non-2-ene-4,9-dione?
The InChIKey is RQBVYTABYFQQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-6-2-1-4-8(6)7(11)3-5-9-8/h3,5,9H,1-2,4H2.
What are the key properties of 1-azaspiro[4.4]non-2-ene-4,9-dione?
1-azaspiro[4.4]non-2-ene-4,9-dione has a molecular weight of 151.17 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[4.4]non-2-ene-4,9-dione is sourced from PubChem (CID 175921836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).