3-(2-iodoethyl)pyrrolidine

C6H12IN — CID 71648953

IUPAC3-(2-iodoethyl)pyrrolidine
SMILESICCC1CCNC1
InChIInChI=1S/C6H12IN/c7-3-1-6-2-4-8-5-6/h6,8H,1-5H2
InChIKeyUDNFVJFFDSKGMY-UHFFFAOYSA-N
MW225.07 g/mol
LogP1.42
Rot. Bonds2

About 3-(2-iodoethyl)pyrrolidine

3-(2-iodoethyl)pyrrolidine (PubChem CID 71648953) has the molecular formula C6H12IN and a molecular weight of 225.07 g/mol. Its IUPAC name is 3-(2-iodoethyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-iodoethyl)pyrrolidine
PubChem CID71648953
Molecular FormulaC6H12IN
Molecular Weight225.07 g/mol
Exact Mass225.00
IUPAC Name3-(2-iodoethyl)pyrrolidine
SMILESICCC1CCNC1
InChIInChI=1S/C6H12IN/c7-3-1-6-2-4-8-5-6/h6,8H,1-5H2
InChIKeyUDNFVJFFDSKGMY-UHFFFAOYSA-N
XLogP1.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 51.42
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'}

Analyze 3-(2-iodoethyl)pyrrolidine with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-3-(2-iodoethyl)piperidine
CID 97168699
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
3-(2-cyclohexylethyl)pyrrolidine
CID 53409214
(3S)-3-pentylpyrrolidine
CID 10261191
3-pyrrolidin-3-ylpropanenitrile
CID 83669079
N-methyl-N-(2-pyrrolidin-3-ylethyl)hydroxylamine
CID 105428686
3-(4,4-dimethylpentyl)pyrrolidine
CID 59630397
3-pyrrolidin-3-ylpropanoic acid
CID 12825648
N-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine
CID 71636554
4-pyrrolidin-3-ylbutan-2-ol
CID 82417870
N,N-diethyl-2-[(3S)-pyrrolidin-3-yl]ethanamine
CID 126580755
3-[(3R)-pyrrolidin-3-yl]propanamide
CID 174976551

Frequently Asked Questions

What is the IUPAC name of 3-(2-iodoethyl)pyrrolidine?
The IUPAC name of 3-(2-iodoethyl)pyrrolidine (CID 71648953) is 3-(2-iodoethyl)pyrrolidine.
What is the SMILES notation for 3-(2-iodoethyl)pyrrolidine?
The canonical SMILES for 3-(2-iodoethyl)pyrrolidine is ICCC1CCNC1.
What is the InChIKey of 3-(2-iodoethyl)pyrrolidine?
The InChIKey is UDNFVJFFDSKGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12IN/c7-3-1-6-2-4-8-5-6/h6,8H,1-5H2.
What are the key properties of 3-(2-iodoethyl)pyrrolidine?
3-(2-iodoethyl)pyrrolidine has a molecular weight of 225.07 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodoethyl)pyrrolidine is sourced from PubChem (CID 71648953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).