6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one

C10H8O3 — CID 23461697

IUPAC6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one
SMILESO=C1Cc2ccc3c(c2C1)OCO3
InChIInChI=1S/C10H8O3/c11-7-3-6-1-2-9-10(8(6)4-7)13-5-12-9/h1-2H,3-5H2
InChIKeyCWTZSKLLVDAKHH-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.08
Rot. Bonds

About 6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one

6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one (PubChem CID 23461697) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one.

Molecular Properties

Compound Name6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one
PubChem CID23461697
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one
SMILESO=C1Cc2ccc3c(c2C1)OCO3
InChIInChI=1S/C10H8O3/c11-7-3-6-1-2-9-10(8(6)4-7)13-5-12-9/h1-2H,3-5H2
InChIKeyCWTZSKLLVDAKHH-UHFFFAOYSA-N
XLogP1.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one?
The IUPAC name of 6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one (CID 23461697) is 6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one.
What is the SMILES notation for 6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one?
The canonical SMILES for 6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one is O=C1Cc2ccc3c(c2C1)OCO3.
What is the InChIKey of 6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one?
The InChIKey is CWTZSKLLVDAKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c11-7-3-6-1-2-9-10(8(6)4-7)13-5-12-9/h1-2H,3-5H2.
What are the key properties of 6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one?
6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one has a molecular weight of 176.17 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one is sourced from PubChem (CID 23461697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).