3-iodo-5-methylpiperidine-2,6-dione

C6H8INO2 — CID 170011464

IUPAC3-iodo-5-methylpiperidine-2,6-dione
SMILESCC1CC(I)C(=O)NC1=O
InChIInChI=1S/C6H8INO2/c1-3-2-4(7)6(10)8-5(3)9/h3-4H,2H2,1H3,(H,8,9,10)
InChIKeySJEGSYKKEZJTSS-UHFFFAOYSA-N
MW253.04 g/mol
LogP0.47
Rot. Bonds

About 3-iodo-5-methylpiperidine-2,6-dione

3-iodo-5-methylpiperidine-2,6-dione (PubChem CID 170011464) has the molecular formula C6H8INO2 and a molecular weight of 253.04 g/mol. Its IUPAC name is 3-iodo-5-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-iodo-5-methylpiperidine-2,6-dione
PubChem CID170011464
Molecular FormulaC6H8INO2
Molecular Weight253.04 g/mol
Exact Mass252.96
IUPAC Name3-iodo-5-methylpiperidine-2,6-dione
SMILESCC1CC(I)C(=O)NC1=O
InChIInChI=1S/C6H8INO2/c1-3-2-4(7)6(10)8-5(3)9/h3-4H,2H2,1H3,(H,8,9,10)
InChIKeySJEGSYKKEZJTSS-UHFFFAOYSA-N
XLogP0.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.04
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-methylsulfanylpiperidine-2,6-dione
CID 169307315
3,4-diiodopyrrolidine-2,5-dione
CID 67657284
3,4-dimethylpyrrolidine-2,5-dione
CID 3550866
3,5,6,6-tetramethylpiperidin-2-one
CID 170011780
5-iodo-1-methyl-1,3-diazinane-2,4-dione
CID 78200114
5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione
CID 10654245
5-iodo-1,3-diazinane-2,4-dione
CID 1283
(3aS,4aR,7aS,8aR)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 102422386
5-methyl-1,3-thiazinane-2,4-dione
CID 13448592
3-methyl-5-(trifluoromethyl)piperidin-2-one
CID 178159652
ethane;3-methylpyrrolidine-2,5-dione;propane
CID 145077035
1-(3,5-dimethylcyclohexyl)-5-methyl-1,3-diazinane-2,4-dione
CID 79777504

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-methylpiperidine-2,6-dione?
The IUPAC name of 3-iodo-5-methylpiperidine-2,6-dione (CID 170011464) is 3-iodo-5-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-iodo-5-methylpiperidine-2,6-dione?
The canonical SMILES for 3-iodo-5-methylpiperidine-2,6-dione is CC1CC(I)C(=O)NC1=O.
What is the InChIKey of 3-iodo-5-methylpiperidine-2,6-dione?
The InChIKey is SJEGSYKKEZJTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8INO2/c1-3-2-4(7)6(10)8-5(3)9/h3-4H,2H2,1H3,(H,8,9,10).
What are the key properties of 3-iodo-5-methylpiperidine-2,6-dione?
3-iodo-5-methylpiperidine-2,6-dione has a molecular weight of 253.04 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-methylpiperidine-2,6-dione is sourced from PubChem (CID 170011464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).