(1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol

C13H19NO — CID 10856631

IUPAC(1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
SMILESC[C@@H]([C@H](O)c1ccccc1)N1CCCC1
InChIInChI=1S/C13H19NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13-/m0/s1
InChIKeyFZVHJGJBJLFWEX-AAEUAGOBSA-N
MW205.30 g/mol
LogP2.20
Rot. Bonds3

About (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol

(1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol (PubChem CID 10856631) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
PubChem CID10856631
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
SMILESC[C@@H]([C@H](O)c1ccccc1)N1CCCC1
InChIInChI=1S/C13H19NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13-/m0/s1
InChIKeyFZVHJGJBJLFWEX-AAEUAGOBSA-N
XLogP2.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol (CID 10856631) is (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol is C[C@@H]([C@H](O)c1ccccc1)N1CCCC1.
What is the InChIKey of (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is FZVHJGJBJLFWEX-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13-/m0/s1.
What are the key properties of (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol?
(1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 10856631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).