(2S)-2-phenyl-2-pyrrolidin-1-ylethanol

C12H17NO — CID 13045938

IUPAC(2S)-2-phenyl-2-pyrrolidin-1-ylethanol
SMILESOC[C@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C12H17NO/c14-10-12(13-8-4-5-9-13)11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8-10H2/t12-/m1/s1
InChIKeyYQDISZZVFYLYOG-GFCCVEGCSA-N
MW191.27 g/mol
LogP1.82
Rot. Bonds3

About (2S)-2-phenyl-2-pyrrolidin-1-ylethanol

(2S)-2-phenyl-2-pyrrolidin-1-ylethanol (PubChem CID 13045938) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S)-2-phenyl-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-pyrrolidin-1-ylethanol
PubChem CID13045938
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S)-2-phenyl-2-pyrrolidin-1-ylethanol
SMILESOC[C@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C12H17NO/c14-10-12(13-8-4-5-9-13)11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8-10H2/t12-/m1/s1
InChIKeyYQDISZZVFYLYOG-GFCCVEGCSA-N
XLogP1.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-pyrrolidin-1-ylethanol?
The IUPAC name of (2S)-2-phenyl-2-pyrrolidin-1-ylethanol (CID 13045938) is (2S)-2-phenyl-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for (2S)-2-phenyl-2-pyrrolidin-1-ylethanol?
The canonical SMILES for (2S)-2-phenyl-2-pyrrolidin-1-ylethanol is OC[C@H](c1ccccc1)N1CCCC1.
What is the InChIKey of (2S)-2-phenyl-2-pyrrolidin-1-ylethanol?
The InChIKey is YQDISZZVFYLYOG-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO/c14-10-12(13-8-4-5-9-13)11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8-10H2/t12-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-pyrrolidin-1-ylethanol?
(2S)-2-phenyl-2-pyrrolidin-1-ylethanol has a molecular weight of 191.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 13045938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).