5-iodo-4-methyl-1,3-dihydroindol-2-one

C9H8INO — CID 23444684

IUPAC5-iodo-4-methyl-1,3-dihydroindol-2-one
SMILESCc1c(I)ccc2c1CC(=O)N2
InChIInChI=1S/C9H8INO/c1-5-6-4-9(12)11-8(6)3-2-7(5)10/h2-3H,4H2,1H3,(H,11,12)
InChIKeyFYMGXBGSTYKVGE-UHFFFAOYSA-N
MW273.07 g/mol
LogP2.09
Rot. Bonds

About 5-iodo-4-methyl-1,3-dihydroindol-2-one

5-iodo-4-methyl-1,3-dihydroindol-2-one (PubChem CID 23444684) has the molecular formula C9H8INO and a molecular weight of 273.07 g/mol. Its IUPAC name is 5-iodo-4-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-iodo-4-methyl-1,3-dihydroindol-2-one
PubChem CID23444684
Molecular FormulaC9H8INO
Molecular Weight273.07 g/mol
Exact Mass272.97
IUPAC Name5-iodo-4-methyl-1,3-dihydroindol-2-one
SMILESCc1c(I)ccc2c1CC(=O)N2
InChIInChI=1S/C9H8INO/c1-5-6-4-9(12)11-8(6)3-2-7(5)10/h2-3H,4H2,1H3,(H,11,12)
InChIKeyFYMGXBGSTYKVGE-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.07
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ropinirole
CID 5095
Oxindole
CID 321710
Ropinirole Hydrochloride
CID 68727
N-Methyloxindole
CID 6096
5-fluoro-1,3-dihydro-2H-indol-2-one
CID 3731012
2',3'-Acetoxylidide
CID 8656
N-Ethyloxindole
CID 66135
3-Methyloxindole
CID 150923
2-(2-Oxoindolin-3-ylidene)malononitrile
CID 244537
3-((3,4-Dimethylphenyl)imino)-1,3-dihydro-2H-indol-2-one
CID 135406017
3-Benzylideneindolin-2-one
CID 1551501
3-Benzyl-1,3-dihydroindol-2-one
CID 347328

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-iodo-4-methyl-1,3-dihydroindol-2-one (CID 23444684) is 5-iodo-4-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-iodo-4-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-iodo-4-methyl-1,3-dihydroindol-2-one is Cc1c(I)ccc2c1CC(=O)N2.
What is the InChIKey of 5-iodo-4-methyl-1,3-dihydroindol-2-one?
The InChIKey is FYMGXBGSTYKVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INO/c1-5-6-4-9(12)11-8(6)3-2-7(5)10/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of 5-iodo-4-methyl-1,3-dihydroindol-2-one?
5-iodo-4-methyl-1,3-dihydroindol-2-one has a molecular weight of 273.07 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 23444684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).