6,7-dimethylindolizine-5,8-dione

C10H9NO2 — CID 14643190

IUPAC6,7-dimethylindolizine-5,8-dione
SMILESCC1=C(C)C(=O)n2cccc2C1=O
InChIInChI=1S/C10H9NO2/c1-6-7(2)10(13)11-5-3-4-8(11)9(6)12/h3-5H,1-2H3
InChIKeyTYIDYDYHYZTXGX-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.66
Rot. Bonds

About 6,7-dimethylindolizine-5,8-dione

6,7-dimethylindolizine-5,8-dione (PubChem CID 14643190) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 6,7-dimethylindolizine-5,8-dione.

Molecular Properties

Compound Name6,7-dimethylindolizine-5,8-dione
PubChem CID14643190
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name6,7-dimethylindolizine-5,8-dione
SMILESCC1=C(C)C(=O)n2cccc2C1=O
InChIInChI=1S/C10H9NO2/c1-6-7(2)10(13)11-5-3-4-8(11)9(6)12/h3-5H,1-2H3
InChIKeyTYIDYDYHYZTXGX-UHFFFAOYSA-N
XLogP1.66
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethylindolizine-5,8-dione?
The IUPAC name of 6,7-dimethylindolizine-5,8-dione (CID 14643190) is 6,7-dimethylindolizine-5,8-dione.
What is the SMILES notation for 6,7-dimethylindolizine-5,8-dione?
The canonical SMILES for 6,7-dimethylindolizine-5,8-dione is CC1=C(C)C(=O)n2cccc2C1=O.
What is the InChIKey of 6,7-dimethylindolizine-5,8-dione?
The InChIKey is TYIDYDYHYZTXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-6-7(2)10(13)11-5-3-4-8(11)9(6)12/h3-5H,1-2H3.
What are the key properties of 6,7-dimethylindolizine-5,8-dione?
6,7-dimethylindolizine-5,8-dione has a molecular weight of 175.19 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethylindolizine-5,8-dione is sourced from PubChem (CID 14643190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).