4-iodo-6-methoxy-2-methyl-3H-isoindol-1-one

C10H10INO2 — CID 133057032

IUPAC4-iodo-6-methoxy-2-methyl-3H-isoindol-1-one
SMILESCOc1cc(I)c2c(c1)C(=O)N(C)C2
InChIInChI=1S/C10H10INO2/c1-12-5-8-7(10(12)13)3-6(14-2)4-9(8)11/h3-4H,5H2,1-2H3
InChIKeyVMLBLLPNRFCUSB-UHFFFAOYSA-N
MW303.10 g/mol
LogP1.89
Rot. Bonds1

About 4-iodo-6-methoxy-2-methyl-3H-isoindol-1-one

4-iodo-6-methoxy-2-methyl-3H-isoindol-1-one (PubChem CID 133057032) has the molecular formula C10H10INO2 and a molecular weight of 303.10 g/mol. Its IUPAC name is 4-iodo-6-methoxy-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name4-iodo-6-methoxy-2-methyl-3H-isoindol-1-one
PubChem CID133057032
Molecular FormulaC10H10INO2
Molecular Weight303.10 g/mol
Exact Mass302.98
IUPAC Name4-iodo-6-methoxy-2-methyl-3H-isoindol-1-one
SMILESCOc1cc(I)c2c(c1)C(=O)N(C)C2
InChIInChI=1S/C10H10INO2/c1-12-5-8-7(10(12)13)3-6(14-2)4-9(8)11/h3-4H,5H2,1-2H3
InChIKeyVMLBLLPNRFCUSB-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-iodo-6-methoxy-2-methyl-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one
CID 167573270
7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one
CID 162417326
5-chloro-6-iodo-2-methyl-3H-isoindol-1-one
CID 146393625
(5,7-dimethoxy-3-oxo-1H-isoindol-2-yl) 2-[di(propan-2-yl)amino]-2-oxoacetate
CID 132563526
2-(iodomethyl)-6-methoxy-3H-isoindol-1-one
CID 70233754
2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one
CID 71177037
methyl 3-iodo-2,5-dimethoxybenzoate
CID 134648385
3,5-dimethyl-4H-thieno[3,4-c]pyrrol-6-one;ethane
CID 167508069
6-(3-hydroxypropyl)-2,4-dimethyl-3H-isoindol-1-one
CID 157010749
(2-methyl-3-oxo-1H-isoindol-5-yl) ethanesulfonate
CID 175608479
6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one
CID 10611170
5-methoxy-7-methyl-1-benzothiophen-3-one
CID 82401004

Frequently Asked Questions

What is the IUPAC name of 4-iodo-6-methoxy-2-methyl-3H-isoindol-1-one?
The IUPAC name of 4-iodo-6-methoxy-2-methyl-3H-isoindol-1-one (CID 133057032) is 4-iodo-6-methoxy-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 4-iodo-6-methoxy-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 4-iodo-6-methoxy-2-methyl-3H-isoindol-1-one is COc1cc(I)c2c(c1)C(=O)N(C)C2.
What is the InChIKey of 4-iodo-6-methoxy-2-methyl-3H-isoindol-1-one?
The InChIKey is VMLBLLPNRFCUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO2/c1-12-5-8-7(10(12)13)3-6(14-2)4-9(8)11/h3-4H,5H2,1-2H3.
What are the key properties of 4-iodo-6-methoxy-2-methyl-3H-isoindol-1-one?
4-iodo-6-methoxy-2-methyl-3H-isoindol-1-one has a molecular weight of 303.10 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-6-methoxy-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 133057032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).