3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione

C16H16O3 — CID 102347424

IUPAC3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione
SMILESO=C1CC(c2ccco2)CC(=O)C12CC=CC=CC2
InChIInChI=1S/C16H16O3/c17-14-10-12(13-6-5-9-19-13)11-15(18)16(14)7-3-1-2-4-8-16/h1-6,9,12H,7-8,10-11H2
InChIKeyRJIATBABGMLPEG-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.19
Rot. Bonds1

About 3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione

3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione (PubChem CID 102347424) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione.

Molecular Properties

Compound Name3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione
PubChem CID102347424
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione
SMILESO=C1CC(c2ccco2)CC(=O)C12CC=CC=CC2
InChIInChI=1S/C16H16O3/c17-14-10-12(13-6-5-9-19-13)11-15(18)16(14)7-3-1-2-4-8-16/h1-6,9,12H,7-8,10-11H2
InChIKeyRJIATBABGMLPEG-UHFFFAOYSA-N
XLogP3.19
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one
CID 30033441
(4R)-4-(furan-2-yl)pyrrolidin-2-one
CID 94826830
2-(cyclopropanecarbonyl)-5-(furan-2-yl)cyclohexane-1,3-dione
CID 52950845
4-(furan-2-yl)-5-methylpyrrolidin-2-one
CID 66108911
(5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one
CID 797847
(5S)-3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
CID 951276
3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
CID 3708096
cis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde
CID 101079486
(6R,9R)-6,9-bis(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 743140
7-(furan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 5323919
2-(thian-4-yl)furan
CID 68570880
4-(furan-2-yl)-5-phenyloxolan-2-one
CID 144706049

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione?
The IUPAC name of 3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione (CID 102347424) is 3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione.
What is the SMILES notation for 3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione?
The canonical SMILES for 3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione is O=C1CC(c2ccco2)CC(=O)C12CC=CC=CC2.
What is the InChIKey of 3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione?
The InChIKey is RJIATBABGMLPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-14-10-12(13-6-5-9-19-13)11-15(18)16(14)7-3-1-2-4-8-16/h1-6,9,12H,7-8,10-11H2.
What are the key properties of 3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione?
3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione has a molecular weight of 256.30 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione is sourced from PubChem (CID 102347424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).