3,4-dimethyl-3,6-dihydro-1H-indole-2,5-dione

C10H11NO2 — CID 18358049

IUPAC3,4-dimethyl-3,6-dihydro-1H-indole-2,5-dione
SMILESCC1=C2C(=CCC1=O)NC(=O)C2C
InChIInChI=1S/C10H11NO2/c1-5-8(12)4-3-7-9(5)6(2)10(13)11-7/h3,6H,4H2,1-2H3,(H,11,13)
InChIKeyRHYRMNNGDOMYKM-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.93
Rot. Bonds

About 3,4-dimethyl-3,6-dihydro-1H-indole-2,5-dione

3,4-dimethyl-3,6-dihydro-1H-indole-2,5-dione (PubChem CID 18358049) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3,4-dimethyl-3,6-dihydro-1H-indole-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-3,6-dihydro-1H-indole-2,5-dione
PubChem CID18358049
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3,4-dimethyl-3,6-dihydro-1H-indole-2,5-dione
SMILESCC1=C2C(=CCC1=O)NC(=O)C2C
InChIInChI=1S/C10H11NO2/c1-5-8(12)4-3-7-9(5)6(2)10(13)11-7/h3,6H,4H2,1-2H3,(H,11,13)
InChIKeyRHYRMNNGDOMYKM-UHFFFAOYSA-N
XLogP0.93
TPSA46.17 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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-3,6-dihydro-1H-indole-2,5-dione?
The IUPAC name of 3,4-dimethyl-3,6-dihydro-1H-indole-2,5-dione (CID 18358049) is 3,4-dimethyl-3,6-dihydro-1H-indole-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-3,6-dihydro-1H-indole-2,5-dione?
The canonical SMILES for 3,4-dimethyl-3,6-dihydro-1H-indole-2,5-dione is CC1=C2C(=CCC1=O)NC(=O)C2C.
What is the InChIKey of 3,4-dimethyl-3,6-dihydro-1H-indole-2,5-dione?
The InChIKey is RHYRMNNGDOMYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-5-8(12)4-3-7-9(5)6(2)10(13)11-7/h3,6H,4H2,1-2H3,(H,11,13).
What are the key properties of 3,4-dimethyl-3,6-dihydro-1H-indole-2,5-dione?
3,4-dimethyl-3,6-dihydro-1H-indole-2,5-dione has a molecular weight of 177.20 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-3,6-dihydro-1H-indole-2,5-dione is sourced from PubChem (CID 18358049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).