3,3-dimethyl-2,7-dihydroindole-5,6-dione

C10H11NO2 — CID 91130918

IUPAC3,3-dimethyl-2,7-dihydroindole-5,6-dione
SMILESCC1(C)CN=C2CC(=O)C(=O)C=C21
InChIInChI=1S/C10H11NO2/c1-10(2)5-11-7-4-9(13)8(12)3-6(7)10/h3H,4-5H2,1-2H3
InChIKeyRZZIDXQDLFIHHN-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.94
Rot. Bonds

About 3,3-dimethyl-2,7-dihydroindole-5,6-dione

3,3-dimethyl-2,7-dihydroindole-5,6-dione (PubChem CID 91130918) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3,3-dimethyl-2,7-dihydroindole-5,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-2,7-dihydroindole-5,6-dione
PubChem CID91130918
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3,3-dimethyl-2,7-dihydroindole-5,6-dione
SMILESCC1(C)CN=C2CC(=O)C(=O)C=C21
InChIInChI=1S/C10H11NO2/c1-10(2)5-11-7-4-9(13)8(12)3-6(7)10/h3H,4-5H2,1-2H3
InChIKeyRZZIDXQDLFIHHN-UHFFFAOYSA-N
XLogP0.94
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,7-dihydroindole-5,6-dione?
The IUPAC name of 3,3-dimethyl-2,7-dihydroindole-5,6-dione (CID 91130918) is 3,3-dimethyl-2,7-dihydroindole-5,6-dione.
What is the SMILES notation for 3,3-dimethyl-2,7-dihydroindole-5,6-dione?
The canonical SMILES for 3,3-dimethyl-2,7-dihydroindole-5,6-dione is CC1(C)CN=C2CC(=O)C(=O)C=C21.
What is the InChIKey of 3,3-dimethyl-2,7-dihydroindole-5,6-dione?
The InChIKey is RZZIDXQDLFIHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-10(2)5-11-7-4-9(13)8(12)3-6(7)10/h3H,4-5H2,1-2H3.
What are the key properties of 3,3-dimethyl-2,7-dihydroindole-5,6-dione?
3,3-dimethyl-2,7-dihydroindole-5,6-dione has a molecular weight of 177.20 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,7-dihydroindole-5,6-dione is sourced from PubChem (CID 91130918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).