5,5-dimethyl-1,6-dihydroindole-4,7-dione

C10H11NO2 — CID 70182304

IUPAC5,5-dimethyl-1,6-dihydroindole-4,7-dione
SMILESCC1(C)CC(=O)c2[nH]ccc2C1=O
InChIInChI=1S/C10H11NO2/c1-10(2)5-7(12)8-6(9(10)13)3-4-11-8/h3-4,11H,5H2,1-2H3
InChIKeyHNGIHRHCWLCJDC-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.81
Rot. Bonds

About 5,5-dimethyl-1,6-dihydroindole-4,7-dione

5,5-dimethyl-1,6-dihydroindole-4,7-dione (PubChem CID 70182304) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5,5-dimethyl-1,6-dihydroindole-4,7-dione.

Molecular Properties

Compound Name5,5-dimethyl-1,6-dihydroindole-4,7-dione
PubChem CID70182304
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5,5-dimethyl-1,6-dihydroindole-4,7-dione
SMILESCC1(C)CC(=O)c2[nH]ccc2C1=O
InChIInChI=1S/C10H11NO2/c1-10(2)5-7(12)8-6(9(10)13)3-4-11-8/h3-4,11H,5H2,1-2H3
InChIKeyHNGIHRHCWLCJDC-UHFFFAOYSA-N
XLogP1.81
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,6-dihydroindole-4,7-dione?
The IUPAC name of 5,5-dimethyl-1,6-dihydroindole-4,7-dione (CID 70182304) is 5,5-dimethyl-1,6-dihydroindole-4,7-dione.
What is the SMILES notation for 5,5-dimethyl-1,6-dihydroindole-4,7-dione?
The canonical SMILES for 5,5-dimethyl-1,6-dihydroindole-4,7-dione is CC1(C)CC(=O)c2[nH]ccc2C1=O.
What is the InChIKey of 5,5-dimethyl-1,6-dihydroindole-4,7-dione?
The InChIKey is HNGIHRHCWLCJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-10(2)5-7(12)8-6(9(10)13)3-4-11-8/h3-4,11H,5H2,1-2H3.
What are the key properties of 5,5-dimethyl-1,6-dihydroindole-4,7-dione?
5,5-dimethyl-1,6-dihydroindole-4,7-dione has a molecular weight of 177.20 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,6-dihydroindole-4,7-dione is sourced from PubChem (CID 70182304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).