cyclopenta[f][1,3]benzodioxole-5,7-dione

C10H6O4 — CID 11127061

IUPACcyclopenta[f][1,3]benzodioxole-5,7-dione
SMILESO=C1CC(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C10H6O4/c11-7-3-8(12)6-2-10-9(1-5(6)7)13-4-14-10/h1-2H,3-4H2
InChIKeyPWQUZAZGPKGAQJ-UHFFFAOYSA-N
MW190.15 g/mol
LogP1.18
Rot. Bonds

About cyclopenta[f][1,3]benzodioxole-5,7-dione

cyclopenta[f][1,3]benzodioxole-5,7-dione (PubChem CID 11127061) has the molecular formula C10H6O4 and a molecular weight of 190.15 g/mol. Its IUPAC name is cyclopenta[f][1,3]benzodioxole-5,7-dione.

Molecular Properties

Compound Namecyclopenta[f][1,3]benzodioxole-5,7-dione
PubChem CID11127061
Molecular FormulaC10H6O4
Molecular Weight190.15 g/mol
Exact Mass190.03
IUPAC Namecyclopenta[f][1,3]benzodioxole-5,7-dione
SMILESO=C1CC(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C10H6O4/c11-7-3-8(12)6-2-10-9(1-5(6)7)13-4-14-10/h1-2H,3-4H2
InChIKeyPWQUZAZGPKGAQJ-UHFFFAOYSA-N
XLogP1.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta[f][1,3]benzodioxole-5,7-dione?
The IUPAC name of cyclopenta[f][1,3]benzodioxole-5,7-dione (CID 11127061) is cyclopenta[f][1,3]benzodioxole-5,7-dione.
What is the SMILES notation for cyclopenta[f][1,3]benzodioxole-5,7-dione?
The canonical SMILES for cyclopenta[f][1,3]benzodioxole-5,7-dione is O=C1CC(=O)c2cc3c(cc21)OCO3.
What is the InChIKey of cyclopenta[f][1,3]benzodioxole-5,7-dione?
The InChIKey is PWQUZAZGPKGAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O4/c11-7-3-8(12)6-2-10-9(1-5(6)7)13-4-14-10/h1-2H,3-4H2.
What are the key properties of cyclopenta[f][1,3]benzodioxole-5,7-dione?
cyclopenta[f][1,3]benzodioxole-5,7-dione has a molecular weight of 190.15 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[f][1,3]benzodioxole-5,7-dione is sourced from PubChem (CID 11127061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).