7-(iodomethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C8H12INO — CID 85145376

IUPAC7-(iodomethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1CCC2C(CI)CCN12
InChIInChI=1S/C8H12INO/c9-5-6-3-4-10-7(6)1-2-8(10)11/h6-7H,1-5H2
InChIKeyAGOIQTQEFNGXNG-UHFFFAOYSA-N
MW265.09 g/mol
LogP1.43
Rot. Bonds1

About 7-(iodomethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

7-(iodomethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 85145376) has the molecular formula C8H12INO and a molecular weight of 265.09 g/mol. Its IUPAC name is 7-(iodomethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name7-(iodomethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID85145376
Molecular FormulaC8H12INO
Molecular Weight265.09 g/mol
Exact Mass265.00
IUPAC Name7-(iodomethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1CCC2C(CI)CCN12
InChIInChI=1S/C8H12INO/c9-5-6-3-4-10-7(6)1-2-8(10)11/h6-7H,1-5H2
InChIKeyAGOIQTQEFNGXNG-UHFFFAOYSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 51.43
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'}

Analyze 7-(iodomethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(iodomethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 7-(iodomethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 85145376) is 7-(iodomethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 7-(iodomethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 7-(iodomethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is O=C1CCC2C(CI)CCN12.
What is the InChIKey of 7-(iodomethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is AGOIQTQEFNGXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12INO/c9-5-6-3-4-10-7(6)1-2-8(10)11/h6-7H,1-5H2.
What are the key properties of 7-(iodomethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
7-(iodomethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 265.09 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(iodomethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 85145376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).