2-(iodomethyl)-6-methoxy-3H-isoindol-1-one

C10H10INO2 — CID 70233754

IUPAC2-(iodomethyl)-6-methoxy-3H-isoindol-1-one
SMILESCOc1ccc2c(c1)C(=O)N(CI)C2
InChIInChI=1S/C10H10INO2/c1-14-8-3-2-7-5-12(6-11)10(13)9(7)4-8/h2-4H,5-6H2,1H3
InChIKeyZXBNPOCLDHTYMM-UHFFFAOYSA-N
MW303.10 g/mol
LogP2.04
Rot. Bonds2

About 2-(iodomethyl)-6-methoxy-3H-isoindol-1-one

2-(iodomethyl)-6-methoxy-3H-isoindol-1-one (PubChem CID 70233754) has the molecular formula C10H10INO2 and a molecular weight of 303.10 g/mol. Its IUPAC name is 2-(iodomethyl)-6-methoxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(iodomethyl)-6-methoxy-3H-isoindol-1-one
PubChem CID70233754
Molecular FormulaC10H10INO2
Molecular Weight303.10 g/mol
Exact Mass302.98
IUPAC Name2-(iodomethyl)-6-methoxy-3H-isoindol-1-one
SMILESCOc1ccc2c(c1)C(=O)N(CI)C2
InChIInChI=1S/C10H10INO2/c1-14-8-3-2-7-5-12(6-11)10(13)9(7)4-8/h2-4H,5-6H2,1H3
InChIKeyZXBNPOCLDHTYMM-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 2196
N-(4-methoxybenzyl)phthalimide
CID 519849
N,N-Diethyl-para-anisamide
CID 231459
1H-Isoindole-1,3(2H)-dione, 5,5'-oxybis[2-methyl-
CID 119652
5-(benzyloxy)-1H-isoindole-1,3(2H)-dione
CID 10682287
2-[2-(3-Methylphenoxy)ethyl]isoindole-1,3-dione
CID 973136
1-(4-Methoxybenzoyl)-4-phenylpyrrolidin-2-one
CID 3537198
N,N-Diethyl-3,4-methylenedioxybenzamide
CID 27480
N-(2-(3,4-Dimethoxyphenyl)ethyl)phthalimide
CID 3996345
5-hydroxy-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 10702443
Falipamil
CID 71222
4-Phenoxyphthalimide
CID 834420

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-6-methoxy-3H-isoindol-1-one?
The IUPAC name of 2-(iodomethyl)-6-methoxy-3H-isoindol-1-one (CID 70233754) is 2-(iodomethyl)-6-methoxy-3H-isoindol-1-one.
What is the SMILES notation for 2-(iodomethyl)-6-methoxy-3H-isoindol-1-one?
The canonical SMILES for 2-(iodomethyl)-6-methoxy-3H-isoindol-1-one is COc1ccc2c(c1)C(=O)N(CI)C2.
What is the InChIKey of 2-(iodomethyl)-6-methoxy-3H-isoindol-1-one?
The InChIKey is ZXBNPOCLDHTYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO2/c1-14-8-3-2-7-5-12(6-11)10(13)9(7)4-8/h2-4H,5-6H2,1H3.
What are the key properties of 2-(iodomethyl)-6-methoxy-3H-isoindol-1-one?
2-(iodomethyl)-6-methoxy-3H-isoindol-1-one has a molecular weight of 303.10 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-6-methoxy-3H-isoindol-1-one is sourced from PubChem (CID 70233754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).