(3R,4R)-3-ethyl-4-iodopyrrolidine

C6H12IN — CID 134386947

IUPAC(3R,4R)-3-ethyl-4-iodopyrrolidine
SMILESCC[C@@H]1CNC[C@@H]1I
InChIInChI=1S/C6H12IN/c1-2-5-3-8-4-6(5)7/h5-6,8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyULEATXKTNHKNFG-RITPCOANSA-N
MW225.07 g/mol
LogP1.42
Rot. Bonds1

About (3R,4R)-3-ethyl-4-iodopyrrolidine

(3R,4R)-3-ethyl-4-iodopyrrolidine (PubChem CID 134386947) has the molecular formula C6H12IN and a molecular weight of 225.07 g/mol. Its IUPAC name is (3R,4R)-3-ethyl-4-iodopyrrolidine.

Molecular Properties

Compound Name(3R,4R)-3-ethyl-4-iodopyrrolidine
PubChem CID134386947
Molecular FormulaC6H12IN
Molecular Weight225.07 g/mol
Exact Mass225.00
IUPAC Name(3R,4R)-3-ethyl-4-iodopyrrolidine
SMILESCC[C@@H]1CNC[C@@H]1I
InChIInChI=1S/C6H12IN/c1-2-5-3-8-4-6(5)7/h5-6,8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyULEATXKTNHKNFG-RITPCOANSA-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

(3R,4S)-3-ethyl-4-iodopiperidine
CID 134386985
3-ethyl-5-methylpiperidin-4-ol
CID 20773336
[(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine
CID 15729391
(3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride
CID 90897311
(3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride
CID 167714876
3-tert-butyl-4-ethylpyrrolidine
CID 138502812
ethane;3-methyl-4-propylpyrrolidine
CID 166487820
(3R,4S)-4-ethylpyrrolidine-3-carboxylic acid
CID 58977392
3-(2-ethylcyclohexyl)azetidine
CID 130510818
(4-ethylpyrrolidin-3-yl)carbamic acid
CID 174763111
ethane;4-ethyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
CID 156888577
(3R,4S)-3-ethyl-4-phenylpyrrolidine
CID 124705784

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-ethyl-4-iodopyrrolidine?
The IUPAC name of (3R,4R)-3-ethyl-4-iodopyrrolidine (CID 134386947) is (3R,4R)-3-ethyl-4-iodopyrrolidine.
What is the SMILES notation for (3R,4R)-3-ethyl-4-iodopyrrolidine?
The canonical SMILES for (3R,4R)-3-ethyl-4-iodopyrrolidine is CC[C@@H]1CNC[C@@H]1I.
What is the InChIKey of (3R,4R)-3-ethyl-4-iodopyrrolidine?
The InChIKey is ULEATXKTNHKNFG-RITPCOANSA-N. The full InChI is InChI=1S/C6H12IN/c1-2-5-3-8-4-6(5)7/h5-6,8H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of (3R,4R)-3-ethyl-4-iodopyrrolidine?
(3R,4R)-3-ethyl-4-iodopyrrolidine 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,4R)-3-ethyl-4-iodopyrrolidine is sourced from PubChem (CID 134386947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).