5-iodo-3-(2-iodoethyl)-1-methylpyrrolidin-2-one

C7H11I2NO — CID 131965960

IUPAC5-iodo-3-(2-iodoethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)C(CCI)CC1I
InChIInChI=1S/C7H11I2NO/c1-10-6(9)4-5(2-3-8)7(10)11/h5-6H,2-4H2,1H3
InChIKeyKVMXOWZIWGAQLC-UHFFFAOYSA-N
MW378.98 g/mol
LogP2.05
Rot. Bonds2

About 5-iodo-3-(2-iodoethyl)-1-methylpyrrolidin-2-one

5-iodo-3-(2-iodoethyl)-1-methylpyrrolidin-2-one (PubChem CID 131965960) has the molecular formula C7H11I2NO and a molecular weight of 378.98 g/mol. Its IUPAC name is 5-iodo-3-(2-iodoethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-iodo-3-(2-iodoethyl)-1-methylpyrrolidin-2-one
PubChem CID131965960
Molecular FormulaC7H11I2NO
Molecular Weight378.98 g/mol
Exact Mass378.89
IUPAC Name5-iodo-3-(2-iodoethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)C(CCI)CC1I
InChIInChI=1S/C7H11I2NO/c1-10-6(9)4-5(2-3-8)7(10)11/h5-6H,2-4H2,1H3
InChIKeyKVMXOWZIWGAQLC-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.98
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(2-iodoethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 5-iodo-3-(2-iodoethyl)-1-methylpyrrolidin-2-one (CID 131965960) is 5-iodo-3-(2-iodoethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-iodo-3-(2-iodoethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-iodo-3-(2-iodoethyl)-1-methylpyrrolidin-2-one is CN1C(=O)C(CCI)CC1I.
What is the InChIKey of 5-iodo-3-(2-iodoethyl)-1-methylpyrrolidin-2-one?
The InChIKey is KVMXOWZIWGAQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11I2NO/c1-10-6(9)4-5(2-3-8)7(10)11/h5-6H,2-4H2,1H3.
What are the key properties of 5-iodo-3-(2-iodoethyl)-1-methylpyrrolidin-2-one?
5-iodo-3-(2-iodoethyl)-1-methylpyrrolidin-2-one has a molecular weight of 378.98 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(2-iodoethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 131965960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).