(3aR)-1,3a-dimethyl-4,6-dihydroindole-2,3,5-trione

C10H11NO3 — CID 11052495

IUPAC(3aR)-1,3a-dimethyl-4,6-dihydroindole-2,3,5-trione
SMILESCN1C(=O)C(=O)[C@]2(C)CC(=O)CC=C12
InChIInChI=1S/C10H11NO3/c1-10-5-6(12)3-4-7(10)11(2)9(14)8(10)13/h4H,3,5H2,1-2H3/t10-/m1/s1
InChIKeyTYMCRCCJCDBJHS-SNVBAGLBSA-N
MW193.20 g/mol
LogP0.28
Rot. Bonds

About (3aR)-1,3a-dimethyl-4,6-dihydroindole-2,3,5-trione

(3aR)-1,3a-dimethyl-4,6-dihydroindole-2,3,5-trione (PubChem CID 11052495) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (3aR)-1,3a-dimethyl-4,6-dihydroindole-2,3,5-trione.

Molecular Properties

Compound Name(3aR)-1,3a-dimethyl-4,6-dihydroindole-2,3,5-trione
PubChem CID11052495
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(3aR)-1,3a-dimethyl-4,6-dihydroindole-2,3,5-trione
SMILESCN1C(=O)C(=O)[C@]2(C)CC(=O)CC=C12
InChIInChI=1S/C10H11NO3/c1-10-5-6(12)3-4-7(10)11(2)9(14)8(10)13/h4H,3,5H2,1-2H3/t10-/m1/s1
InChIKeyTYMCRCCJCDBJHS-SNVBAGLBSA-N
XLogP0.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR)-1,3a-dimethyl-4,6-dihydroindole-2,3,5-trione?
The IUPAC name of (3aR)-1,3a-dimethyl-4,6-dihydroindole-2,3,5-trione (CID 11052495) is (3aR)-1,3a-dimethyl-4,6-dihydroindole-2,3,5-trione.
What is the SMILES notation for (3aR)-1,3a-dimethyl-4,6-dihydroindole-2,3,5-trione?
The canonical SMILES for (3aR)-1,3a-dimethyl-4,6-dihydroindole-2,3,5-trione is CN1C(=O)C(=O)[C@]2(C)CC(=O)CC=C12.
What is the InChIKey of (3aR)-1,3a-dimethyl-4,6-dihydroindole-2,3,5-trione?
The InChIKey is TYMCRCCJCDBJHS-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11NO3/c1-10-5-6(12)3-4-7(10)11(2)9(14)8(10)13/h4H,3,5H2,1-2H3/t10-/m1/s1.
What are the key properties of (3aR)-1,3a-dimethyl-4,6-dihydroindole-2,3,5-trione?
(3aR)-1,3a-dimethyl-4,6-dihydroindole-2,3,5-trione has a molecular weight of 193.20 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-1,3a-dimethyl-4,6-dihydroindole-2,3,5-trione is sourced from PubChem (CID 11052495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).