2,6-dimethyl-3-tritio-2,3-dihydroindol-5-one

C10H11NO — CID 90672886

IUPAC2,6-dimethyl-3-tritio-2,3-dihydroindol-5-one
SMILES[3H]C1C2=CC(=O)C(C)=CC2=NC1C
InChIInChI=1S/C10H11NO/c1-6-3-9-8(5-10(6)12)4-7(2)11-9/h3,5,7H,4H2,1-2H3/i4T
InChIKeyZTXFLRBZYZRELA-IBTRZKOZSA-N
MW163.21 g/mol
LogP1.67
Rot. Bonds

About 2,6-dimethyl-3-tritio-2,3-dihydroindol-5-one

2,6-dimethyl-3-tritio-2,3-dihydroindol-5-one (PubChem CID 90672886) has the molecular formula C10H11NO and a molecular weight of 163.21 g/mol. Its IUPAC name is 2,6-dimethyl-3-tritio-2,3-dihydroindol-5-one.

Molecular Properties

Compound Name2,6-dimethyl-3-tritio-2,3-dihydroindol-5-one
PubChem CID90672886
Molecular FormulaC10H11NO
Molecular Weight163.21 g/mol
Exact Mass163.09
IUPAC Name2,6-dimethyl-3-tritio-2,3-dihydroindol-5-one
SMILES[3H]C1C2=CC(=O)C(C)=CC2=NC1C
InChIInChI=1S/C10H11NO/c1-6-3-9-8(5-10(6)12)4-7(2)11-9/h3,5,7H,4H2,1-2H3/i4T
InChIKeyZTXFLRBZYZRELA-IBTRZKOZSA-N
XLogP1.67
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

2,6-Dimethyl-2,3-dihydroindol-5-one
CID 12515908
2,3-Dihydro-indol-5-one
CID 24975429
2,3,6-Trimethyl-4-methyliminocyclohexa-2,5-dien-1-one
CID 57553800
2,3-dimethyl-3,6-dihydro-2H-indol-6-id-5-one;yttrium
CID 59758692
3,4-dihydro-2H-quinolin-6-one
CID 69967126
6-Cyclopentyliminocyclohexa-2,4-dien-1-one
CID 134385694
1-(5-methyl-2-propyl-2H-pyrrol-4-yl)ethanone
CID 137467935
4-Cyclohexylimino-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 141838028
2-ethyl-4,6-dimethyl-2H-pyridin-3-one
CID 150459104
2,4,6-trimethyl-2H-pyridin-3-one
CID 151573788
2,6-Dimethyl-4-methyliminocyclohexa-2,5-dien-1-one
CID 58194050
2,3-Dimethyl-2,3-dihydroindol-5-one
CID 59758693

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-tritio-2,3-dihydroindol-5-one?
The IUPAC name of 2,6-dimethyl-3-tritio-2,3-dihydroindol-5-one (CID 90672886) is 2,6-dimethyl-3-tritio-2,3-dihydroindol-5-one.
What is the SMILES notation for 2,6-dimethyl-3-tritio-2,3-dihydroindol-5-one?
The canonical SMILES for 2,6-dimethyl-3-tritio-2,3-dihydroindol-5-one is [3H]C1C2=CC(=O)C(C)=CC2=NC1C.
What is the InChIKey of 2,6-dimethyl-3-tritio-2,3-dihydroindol-5-one?
The InChIKey is ZTXFLRBZYZRELA-IBTRZKOZSA-N. The full InChI is InChI=1S/C10H11NO/c1-6-3-9-8(5-10(6)12)4-7(2)11-9/h3,5,7H,4H2,1-2H3/i4T.
What are the key properties of 2,6-dimethyl-3-tritio-2,3-dihydroindol-5-one?
2,6-dimethyl-3-tritio-2,3-dihydroindol-5-one has a molecular weight of 163.21 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-tritio-2,3-dihydroindol-5-one is sourced from PubChem (CID 90672886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).