1-(6-iodo-6-methyloctyl)pyrrolidine-2,5-dione

C13H22INO2 — CID 164665619

IUPAC1-(6-iodo-6-methyloctyl)pyrrolidine-2,5-dione
SMILESCCC(C)(I)CCCCCN1C(=O)CCC1=O
InChIInChI=1S/C13H22INO2/c1-3-13(2,14)9-5-4-6-10-15-11(16)7-8-12(15)17/h3-10H2,1-2H3
InChIKeyCWCOZWLSCGNYAL-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.30
Rot. Bonds7

About 1-(6-iodo-6-methyloctyl)pyrrolidine-2,5-dione

1-(6-iodo-6-methyloctyl)pyrrolidine-2,5-dione (PubChem CID 164665619) has the molecular formula C13H22INO2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 1-(6-iodo-6-methyloctyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(6-iodo-6-methyloctyl)pyrrolidine-2,5-dione
PubChem CID164665619
Molecular FormulaC13H22INO2
Molecular Weight351.23 g/mol
Exact Mass351.07
IUPAC Name1-(6-iodo-6-methyloctyl)pyrrolidine-2,5-dione
SMILESCCC(C)(I)CCCCCN1C(=O)CCC1=O
InChIInChI=1S/C13H22INO2/c1-3-13(2,14)9-5-4-6-10-15-11(16)7-8-12(15)17/h3-10H2,1-2H3
InChIKeyCWCOZWLSCGNYAL-UHFFFAOYSA-N
XLogP3.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-iodo-6-methyloctyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(6-iodo-6-methyloctyl)pyrrolidine-2,5-dione (CID 164665619) is 1-(6-iodo-6-methyloctyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(6-iodo-6-methyloctyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(6-iodo-6-methyloctyl)pyrrolidine-2,5-dione is CCC(C)(I)CCCCCN1C(=O)CCC1=O.
What is the InChIKey of 1-(6-iodo-6-methyloctyl)pyrrolidine-2,5-dione?
The InChIKey is CWCOZWLSCGNYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22INO2/c1-3-13(2,14)9-5-4-6-10-15-11(16)7-8-12(15)17/h3-10H2,1-2H3.
What are the key properties of 1-(6-iodo-6-methyloctyl)pyrrolidine-2,5-dione?
1-(6-iodo-6-methyloctyl)pyrrolidine-2,5-dione has a molecular weight of 351.23 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-iodo-6-methyloctyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 164665619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).