(3S,4R)-4-phenylpyrrolidin-3-ol

C10H13NO — CID 25067300

IUPAC(3S,4R)-4-phenylpyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1c1ccccc1
InChIInChI=1S/C10H13NO/c12-10-7-11-6-9(10)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10+/m0/s1
InChIKeyLKWOEDBCCDPEQB-VHSXEESVSA-N
MW163.22 g/mol
LogP0.73
Rot. Bonds1

About (3S,4R)-4-phenylpyrrolidin-3-ol

(3S,4R)-4-phenylpyrrolidin-3-ol (PubChem CID 25067300) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (3S,4R)-4-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-phenylpyrrolidin-3-ol
PubChem CID25067300
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(3S,4R)-4-phenylpyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1c1ccccc1
InChIInChI=1S/C10H13NO/c12-10-7-11-6-9(10)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10+/m0/s1
InChIKeyLKWOEDBCCDPEQB-VHSXEESVSA-N
XLogP0.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenylpyrrolidin-3-ol?
The IUPAC name of (3S,4R)-4-phenylpyrrolidin-3-ol (CID 25067300) is (3S,4R)-4-phenylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-4-phenylpyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-4-phenylpyrrolidin-3-ol is O[C@@H]1CNC[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-phenylpyrrolidin-3-ol?
The InChIKey is LKWOEDBCCDPEQB-VHSXEESVSA-N. The full InChI is InChI=1S/C10H13NO/c12-10-7-11-6-9(10)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10+/m0/s1.
What are the key properties of (3S,4R)-4-phenylpyrrolidin-3-ol?
(3S,4R)-4-phenylpyrrolidin-3-ol has a molecular weight of 163.22 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenylpyrrolidin-3-ol is sourced from PubChem (CID 25067300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).