(3R)-3-(1-iodoethyl)pyrrolidine

C6H12IN — CID 89293649

IUPAC(3R)-3-(1-iodoethyl)pyrrolidine
SMILESCC(I)[C@@H]1CCNC1
InChIInChI=1S/C6H12IN/c1-5(7)6-2-3-8-4-6/h5-6,8H,2-4H2,1H3/t5?,6-/m1/s1
InChIKeyIOESCYWIJSESJQ-PRJDIBJQSA-N
MW225.07 g/mol
LogP1.42
Rot. Bonds1

About (3R)-3-(1-iodoethyl)pyrrolidine

(3R)-3-(1-iodoethyl)pyrrolidine (PubChem CID 89293649) has the molecular formula C6H12IN and a molecular weight of 225.07 g/mol. Its IUPAC name is (3R)-3-(1-iodoethyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(1-iodoethyl)pyrrolidine
PubChem CID89293649
Molecular FormulaC6H12IN
Molecular Weight225.07 g/mol
Exact Mass225.00
IUPAC Name(3R)-3-(1-iodoethyl)pyrrolidine
SMILESCC(I)[C@@H]1CCNC1
InChIInChI=1S/C6H12IN/c1-5(7)6-2-3-8-4-6/h5-6,8H,2-4H2,1H3/t5?,6-/m1/s1
InChIKeyIOESCYWIJSESJQ-PRJDIBJQSA-N
XLogP1.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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'}

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Related Compounds

molecular hydrogen;3-propan-2-ylpyrrolidine;hydrofluoride
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-iodoethyl)pyrrolidine?
The IUPAC name of (3R)-3-(1-iodoethyl)pyrrolidine (CID 89293649) is (3R)-3-(1-iodoethyl)pyrrolidine.
What is the SMILES notation for (3R)-3-(1-iodoethyl)pyrrolidine?
The canonical SMILES for (3R)-3-(1-iodoethyl)pyrrolidine is CC(I)[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-(1-iodoethyl)pyrrolidine?
The InChIKey is IOESCYWIJSESJQ-PRJDIBJQSA-N. The full InChI is InChI=1S/C6H12IN/c1-5(7)6-2-3-8-4-6/h5-6,8H,2-4H2,1H3/t5?,6-/m1/s1.
What are the key properties of (3R)-3-(1-iodoethyl)pyrrolidine?
(3R)-3-(1-iodoethyl)pyrrolidine has a molecular weight of 225.07 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-iodoethyl)pyrrolidine is sourced from PubChem (CID 89293649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).