(2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine

C11H14INO — CID 130676134

IUPAC(2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(I)c([C@H]2CCCN2)c1
InChIInChI=1S/C11H14INO/c1-14-8-4-5-10(12)9(7-8)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3/t11-/m1/s1
InChIKeyNOZLKOZPBAWKFU-LLVKDONJSA-N
MW303.14 g/mol
LogP2.72
Rot. Bonds2

About (2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine

(2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine (PubChem CID 130676134) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is (2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine
PubChem CID130676134
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name(2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(I)c([C@H]2CCCN2)c1
InChIInChI=1S/C11H14INO/c1-14-8-4-5-10(12)9(7-8)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3/t11-/m1/s1
InChIKeyNOZLKOZPBAWKFU-LLVKDONJSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine?
The IUPAC name of (2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine (CID 130676134) is (2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine?
The canonical SMILES for (2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine is COc1ccc(I)c([C@H]2CCCN2)c1.
What is the InChIKey of (2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine?
The InChIKey is NOZLKOZPBAWKFU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14INO/c1-14-8-4-5-10(12)9(7-8)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine?
(2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine has a molecular weight of 303.14 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 130676134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).