2-[(2R)-3-iodo-2-methylpyrrolidin-2-yl]oxyethanol

C7H14INO2 — CID 131700870

IUPAC2-[(2R)-3-iodo-2-methylpyrrolidin-2-yl]oxyethanol
SMILESC[C@]1(OCCO)NCCC1I
InChIInChI=1S/C7H14INO2/c1-7(11-5-4-10)6(8)2-3-9-7/h6,9-10H,2-5H2,1H3/t6?,7-/m1/s1
InChIKeyWRBTUYDEIPFKJT-COBSHVIPSA-N
MW271.10 g/mol
LogP0.51
Rot. Bonds3

About 2-[(2R)-3-iodo-2-methylpyrrolidin-2-yl]oxyethanol

2-[(2R)-3-iodo-2-methylpyrrolidin-2-yl]oxyethanol (PubChem CID 131700870) has the molecular formula C7H14INO2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 2-[(2R)-3-iodo-2-methylpyrrolidin-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[(2R)-3-iodo-2-methylpyrrolidin-2-yl]oxyethanol
PubChem CID131700870
Molecular FormulaC7H14INO2
Molecular Weight271.10 g/mol
Exact Mass271.01
IUPAC Name2-[(2R)-3-iodo-2-methylpyrrolidin-2-yl]oxyethanol
SMILESC[C@]1(OCCO)NCCC1I
InChIInChI=1S/C7H14INO2/c1-7(11-5-4-10)6(8)2-3-9-7/h6,9-10H,2-5H2,1H3/t6?,7-/m1/s1
InChIKeyWRBTUYDEIPFKJT-COBSHVIPSA-N
XLogP0.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[(2R)-3-iodo-2-methylpyrrolidin-2-yl]oxyethanol?
The IUPAC name of 2-[(2R)-3-iodo-2-methylpyrrolidin-2-yl]oxyethanol (CID 131700870) is 2-[(2R)-3-iodo-2-methylpyrrolidin-2-yl]oxyethanol.
What is the SMILES notation for 2-[(2R)-3-iodo-2-methylpyrrolidin-2-yl]oxyethanol?
The canonical SMILES for 2-[(2R)-3-iodo-2-methylpyrrolidin-2-yl]oxyethanol is C[C@]1(OCCO)NCCC1I.
What is the InChIKey of 2-[(2R)-3-iodo-2-methylpyrrolidin-2-yl]oxyethanol?
The InChIKey is WRBTUYDEIPFKJT-COBSHVIPSA-N. The full InChI is InChI=1S/C7H14INO2/c1-7(11-5-4-10)6(8)2-3-9-7/h6,9-10H,2-5H2,1H3/t6?,7-/m1/s1.
What are the key properties of 2-[(2R)-3-iodo-2-methylpyrrolidin-2-yl]oxyethanol?
2-[(2R)-3-iodo-2-methylpyrrolidin-2-yl]oxyethanol has a molecular weight of 271.10 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-iodo-2-methylpyrrolidin-2-yl]oxyethanol is sourced from PubChem (CID 131700870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).