6-iodo-6-methyl-1,3-diazepane-2,4-dione

C6H9IN2O2 — CID 143335302

IUPAC6-iodo-6-methyl-1,3-diazepane-2,4-dione
SMILESCC1(I)CNC(=O)NC(=O)C1
InChIInChI=1S/C6H9IN2O2/c1-6(7)2-4(10)9-5(11)8-3-6/h2-3H2,1H3,(H2,8,9,10,11)
InChIKeyGFSRRSWEGYNGOI-UHFFFAOYSA-N
MW268.05 g/mol
LogP0.41
Rot. Bonds

About 6-iodo-6-methyl-1,3-diazepane-2,4-dione

6-iodo-6-methyl-1,3-diazepane-2,4-dione (PubChem CID 143335302) has the molecular formula C6H9IN2O2 and a molecular weight of 268.05 g/mol. Its IUPAC name is 6-iodo-6-methyl-1,3-diazepane-2,4-dione.

Molecular Properties

Compound Name6-iodo-6-methyl-1,3-diazepane-2,4-dione
PubChem CID143335302
Molecular FormulaC6H9IN2O2
Molecular Weight268.05 g/mol
Exact Mass267.97
IUPAC Name6-iodo-6-methyl-1,3-diazepane-2,4-dione
SMILESCC1(I)CNC(=O)NC(=O)C1
InChIInChI=1S/C6H9IN2O2/c1-6(7)2-4(10)9-5(11)8-3-6/h2-3H2,1H3,(H2,8,9,10,11)
InChIKeyGFSRRSWEGYNGOI-UHFFFAOYSA-N
XLogP0.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.05
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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imidazolidine-2,4-dione;trihydrate
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copper;imidazolidine-2,4-dione
CID 67120841
5-methyl-5-[(5-methyl-2,4-dioxo-1,3-diazinan-5-yl)sulfonyl]-1,3-diazinane-2,4-dione
CID 69008366
4-hydroxy-4-methylimidazolidin-2-one
CID 20517143
aziridin-2-one
CID 158991665
acetamide;imidazolidine-2,4-dione
CID 159110028
5,7-diazaspiro[2.5]octane-6,8-dione
CID 115451832
5,5-dimethylpiperazin-2-one
CID 23319655
3-methyl-3-sulfanylpyrrolidine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 6-iodo-6-methyl-1,3-diazepane-2,4-dione?
The IUPAC name of 6-iodo-6-methyl-1,3-diazepane-2,4-dione (CID 143335302) is 6-iodo-6-methyl-1,3-diazepane-2,4-dione.
What is the SMILES notation for 6-iodo-6-methyl-1,3-diazepane-2,4-dione?
The canonical SMILES for 6-iodo-6-methyl-1,3-diazepane-2,4-dione is CC1(I)CNC(=O)NC(=O)C1.
What is the InChIKey of 6-iodo-6-methyl-1,3-diazepane-2,4-dione?
The InChIKey is GFSRRSWEGYNGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2O2/c1-6(7)2-4(10)9-5(11)8-3-6/h2-3H2,1H3,(H2,8,9,10,11).
What are the key properties of 6-iodo-6-methyl-1,3-diazepane-2,4-dione?
6-iodo-6-methyl-1,3-diazepane-2,4-dione has a molecular weight of 268.05 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-6-methyl-1,3-diazepane-2,4-dione is sourced from PubChem (CID 143335302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).