(2R,3R)-2-(4-chlorophenyl)pyrrolidin-3-ol

C10H12ClNO — CID 96621217

IUPAC(2R,3R)-2-(4-chlorophenyl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c11-8-3-1-7(2-4-8)10-9(13)5-6-12-10/h1-4,9-10,12-13H,5-6H2/t9-,10-/m1/s1
InChIKeyRLUYLBWEPOPAQN-NXEZZACHSA-N
MW197.67 g/mol
LogP1.74
Rot. Bonds1

About (2R,3R)-2-(4-chlorophenyl)pyrrolidin-3-ol

(2R,3R)-2-(4-chlorophenyl)pyrrolidin-3-ol (PubChem CID 96621217) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is (2R,3R)-2-(4-chlorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-(4-chlorophenyl)pyrrolidin-3-ol
PubChem CID96621217
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name(2R,3R)-2-(4-chlorophenyl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c11-8-3-1-7(2-4-8)10-9(13)5-6-12-10/h1-4,9-10,12-13H,5-6H2/t9-,10-/m1/s1
InChIKeyRLUYLBWEPOPAQN-NXEZZACHSA-N
XLogP1.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-chlorophenyl)pyrrolidin-3-ol?
The IUPAC name of (2R,3R)-2-(4-chlorophenyl)pyrrolidin-3-ol (CID 96621217) is (2R,3R)-2-(4-chlorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for (2R,3R)-2-(4-chlorophenyl)pyrrolidin-3-ol?
The canonical SMILES for (2R,3R)-2-(4-chlorophenyl)pyrrolidin-3-ol is O[C@@H]1CCN[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2R,3R)-2-(4-chlorophenyl)pyrrolidin-3-ol?
The InChIKey is RLUYLBWEPOPAQN-NXEZZACHSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-8-3-1-7(2-4-8)10-9(13)5-6-12-10/h1-4,9-10,12-13H,5-6H2/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-2-(4-chlorophenyl)pyrrolidin-3-ol?
(2R,3R)-2-(4-chlorophenyl)pyrrolidin-3-ol has a molecular weight of 197.67 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-chlorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 96621217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).