3-(iodomethyl)-4-(2-iodophenyl)pyrrolidine

C11H13I2N — CID 130900223

IUPAC3-(iodomethyl)-4-(2-iodophenyl)pyrrolidine
SMILESICC1CNCC1c1ccccc1I
InChIInChI=1S/C11H13I2N/c12-5-8-6-14-7-10(8)9-3-1-2-4-11(9)13/h1-4,8,10,14H,5-7H2
InChIKeyGNGWTUVLDXNQFZ-UHFFFAOYSA-N
MW413.04 g/mol
LogP3.03
Rot. Bonds2

About 3-(iodomethyl)-4-(2-iodophenyl)pyrrolidine

3-(iodomethyl)-4-(2-iodophenyl)pyrrolidine (PubChem CID 130900223) has the molecular formula C11H13I2N and a molecular weight of 413.04 g/mol. Its IUPAC name is 3-(iodomethyl)-4-(2-iodophenyl)pyrrolidine.

Molecular Properties

Compound Name3-(iodomethyl)-4-(2-iodophenyl)pyrrolidine
PubChem CID130900223
Molecular FormulaC11H13I2N
Molecular Weight413.04 g/mol
Exact Mass412.91
IUPAC Name3-(iodomethyl)-4-(2-iodophenyl)pyrrolidine
SMILESICC1CNCC1c1ccccc1I
InChIInChI=1S/C11H13I2N/c12-5-8-6-14-7-10(8)9-3-1-2-4-11(9)13/h1-4,8,10,14H,5-7H2
InChIKeyGNGWTUVLDXNQFZ-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.04
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(iodomethyl)-4-(2-iodophenyl)pyrrolidine?
The IUPAC name of 3-(iodomethyl)-4-(2-iodophenyl)pyrrolidine (CID 130900223) is 3-(iodomethyl)-4-(2-iodophenyl)pyrrolidine.
What is the SMILES notation for 3-(iodomethyl)-4-(2-iodophenyl)pyrrolidine?
The canonical SMILES for 3-(iodomethyl)-4-(2-iodophenyl)pyrrolidine is ICC1CNCC1c1ccccc1I.
What is the InChIKey of 3-(iodomethyl)-4-(2-iodophenyl)pyrrolidine?
The InChIKey is GNGWTUVLDXNQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13I2N/c12-5-8-6-14-7-10(8)9-3-1-2-4-11(9)13/h1-4,8,10,14H,5-7H2.
What are the key properties of 3-(iodomethyl)-4-(2-iodophenyl)pyrrolidine?
3-(iodomethyl)-4-(2-iodophenyl)pyrrolidine has a molecular weight of 413.04 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iodomethyl)-4-(2-iodophenyl)pyrrolidine is sourced from PubChem (CID 130900223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).