6,7-dihydro-[1,3]dioxolo[4,5-g]isoindol-8-one

C9H7NO3 — CID 71303966

IUPAC6,7-dihydro-[1,3]dioxolo[4,5-g]isoindol-8-one
SMILESO=C1NCc2ccc3c(c21)OCO3
InChIInChI=1S/C9H7NO3/c11-9-7-5(3-10-9)1-2-6-8(7)13-4-12-6/h1-2H,3-4H2,(H,10,11)
InChIKeyBYAFKVRZEGMBQD-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.66
Rot. Bonds

About 6,7-dihydro-[1,3]dioxolo[4,5-g]isoindol-8-one

6,7-dihydro-[1,3]dioxolo[4,5-g]isoindol-8-one (PubChem CID 71303966) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6,7-dihydro-[1,3]dioxolo[4,5-g]isoindol-8-one.

Molecular Properties

Compound Name6,7-dihydro-[1,3]dioxolo[4,5-g]isoindol-8-one
PubChem CID71303966
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name6,7-dihydro-[1,3]dioxolo[4,5-g]isoindol-8-one
SMILESO=C1NCc2ccc3c(c21)OCO3
InChIInChI=1S/C9H7NO3/c11-9-7-5(3-10-9)1-2-6-8(7)13-4-12-6/h1-2H,3-4H2,(H,10,11)
InChIKeyBYAFKVRZEGMBQD-UHFFFAOYSA-N
XLogP0.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-[1,3]dioxolo[4,5-g]isoindol-8-one?
The IUPAC name of 6,7-dihydro-[1,3]dioxolo[4,5-g]isoindol-8-one (CID 71303966) is 6,7-dihydro-[1,3]dioxolo[4,5-g]isoindol-8-one.
What is the SMILES notation for 6,7-dihydro-[1,3]dioxolo[4,5-g]isoindol-8-one?
The canonical SMILES for 6,7-dihydro-[1,3]dioxolo[4,5-g]isoindol-8-one is O=C1NCc2ccc3c(c21)OCO3.
What is the InChIKey of 6,7-dihydro-[1,3]dioxolo[4,5-g]isoindol-8-one?
The InChIKey is BYAFKVRZEGMBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c11-9-7-5(3-10-9)1-2-6-8(7)13-4-12-6/h1-2H,3-4H2,(H,10,11).
What are the key properties of 6,7-dihydro-[1,3]dioxolo[4,5-g]isoindol-8-one?
6,7-dihydro-[1,3]dioxolo[4,5-g]isoindol-8-one has a molecular weight of 177.16 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-[1,3]dioxolo[4,5-g]isoindol-8-one is sourced from PubChem (CID 71303966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).