[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol

C11H15NO — CID 98008478

IUPAC[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
SMILESOC[C@@H]1NCC[C@H]1c1ccccc1
InChIInChI=1S/C11H15NO/c13-8-11-10(6-7-12-11)9-4-2-1-3-5-9/h1-5,10-13H,6-8H2/t10-,11-/m0/s1
InChIKeySVTRYGCVYSRFIU-QWRGUYRKSA-N
MW177.25 g/mol
LogP1.12
Rot. Bonds2

About [(2R,3S)-3-phenylpyrrolidin-2-yl]methanol

[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol (PubChem CID 98008478) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is [(2R,3S)-3-phenylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
PubChem CID98008478
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
SMILESOC[C@@H]1NCC[C@H]1c1ccccc1
InChIInChI=1S/C11H15NO/c13-8-11-10(6-7-12-11)9-4-2-1-3-5-9/h1-5,10-13H,6-8H2/t10-,11-/m0/s1
InChIKeySVTRYGCVYSRFIU-QWRGUYRKSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3-phenylpyrrolidine
CID 62354556
(2S,3R)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397686
(2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397684
[(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol
CID 130672690
(3-pyridin-3-ylpyrrolidin-2-yl)methanol
CID 126982382
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
[(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol
CID 131001241
[(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 131873349
(2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine
CID 124508929
3-phenyl-2-propan-2-ylpyrrolidine
CID 64689457
[(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol
CID 147473503
[(2S,3S)-3-benzylpyrrolidin-2-yl]methanol
CID 130754239

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-phenylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-phenylpyrrolidin-2-yl]methanol (CID 98008478) is [(2R,3S)-3-phenylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-phenylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-phenylpyrrolidin-2-yl]methanol is OC[C@@H]1NCC[C@H]1c1ccccc1.
What is the InChIKey of [(2R,3S)-3-phenylpyrrolidin-2-yl]methanol?
The InChIKey is SVTRYGCVYSRFIU-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H15NO/c13-8-11-10(6-7-12-11)9-4-2-1-3-5-9/h1-5,10-13H,6-8H2/t10-,11-/m0/s1.
What are the key properties of [(2R,3S)-3-phenylpyrrolidin-2-yl]methanol?
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol has a molecular weight of 177.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-phenylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 98008478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).