(S)-phenyl-[(2R)-pyrrolidin-2-yl]methanol

C11H15NO — CID 11506549

IUPAC(S)-phenyl-[(2R)-pyrrolidin-2-yl]methanol
SMILESO[C@@H](c1ccccc1)[C@H]1CCCN1
InChIInChI=1S/C11H15NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8H2/t10-,11+/m1/s1
InChIKeyYPMHBZQROFTOSU-MNOVXSKESA-N
MW177.25 g/mol
LogP1.47
Rot. Bonds2

About (S)-phenyl-[(2R)-pyrrolidin-2-yl]methanol

(S)-phenyl-[(2R)-pyrrolidin-2-yl]methanol (PubChem CID 11506549) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (S)-phenyl-[(2R)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name(S)-phenyl-[(2R)-pyrrolidin-2-yl]methanol
PubChem CID11506549
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(S)-phenyl-[(2R)-pyrrolidin-2-yl]methanol
SMILESO[C@@H](c1ccccc1)[C@H]1CCCN1
InChIInChI=1S/C11H15NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8H2/t10-,11+/m1/s1
InChIKeyYPMHBZQROFTOSU-MNOVXSKESA-N
XLogP1.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-phenyl-[(2R)-pyrrolidin-2-yl]methanol?
The IUPAC name of (S)-phenyl-[(2R)-pyrrolidin-2-yl]methanol (CID 11506549) is (S)-phenyl-[(2R)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for (S)-phenyl-[(2R)-pyrrolidin-2-yl]methanol?
The canonical SMILES for (S)-phenyl-[(2R)-pyrrolidin-2-yl]methanol is O[C@@H](c1ccccc1)[C@H]1CCCN1.
What is the InChIKey of (S)-phenyl-[(2R)-pyrrolidin-2-yl]methanol?
The InChIKey is YPMHBZQROFTOSU-MNOVXSKESA-N. The full InChI is InChI=1S/C11H15NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8H2/t10-,11+/m1/s1.
What are the key properties of (S)-phenyl-[(2R)-pyrrolidin-2-yl]methanol?
(S)-phenyl-[(2R)-pyrrolidin-2-yl]methanol has a molecular weight of 177.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-phenyl-[(2R)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 11506549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).