3-phenyl-5-propan-2-ylpyrrolidin-3-ol;hydrochloride

C13H20ClNO — CID 3051383

IUPAC3-phenyl-5-propan-2-ylpyrrolidin-3-ol;hydrochloride
SMILESCC(C)C1CC(O)(c2ccccc2)CN1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-10(2)12-8-13(15,9-14-12)11-6-4-3-5-7-11;/h3-7,10,12,14-15H,8-9H2,1-2H3;1H
InChIKeyOYFRHNLDOGGFKP-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.31
Rot. Bonds2

About 3-phenyl-5-propan-2-ylpyrrolidin-3-ol;hydrochloride

3-phenyl-5-propan-2-ylpyrrolidin-3-ol;hydrochloride (PubChem CID 3051383) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 3-phenyl-5-propan-2-ylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-phenyl-5-propan-2-ylpyrrolidin-3-ol;hydrochloride
PubChem CID3051383
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name3-phenyl-5-propan-2-ylpyrrolidin-3-ol;hydrochloride
SMILESCC(C)C1CC(O)(c2ccccc2)CN1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-10(2)12-8-13(15,9-14-12)11-6-4-3-5-7-11;/h3-7,10,12,14-15H,8-9H2,1-2H3;1H
InChIKeyOYFRHNLDOGGFKP-UHFFFAOYSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-propan-2-ylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-phenyl-5-propan-2-ylpyrrolidin-3-ol;hydrochloride (CID 3051383) is 3-phenyl-5-propan-2-ylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-phenyl-5-propan-2-ylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-phenyl-5-propan-2-ylpyrrolidin-3-ol;hydrochloride is CC(C)C1CC(O)(c2ccccc2)CN1.Cl.
What is the InChIKey of 3-phenyl-5-propan-2-ylpyrrolidin-3-ol;hydrochloride?
The InChIKey is OYFRHNLDOGGFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-10(2)12-8-13(15,9-14-12)11-6-4-3-5-7-11;/h3-7,10,12,14-15H,8-9H2,1-2H3;1H.
What are the key properties of 3-phenyl-5-propan-2-ylpyrrolidin-3-ol;hydrochloride?
3-phenyl-5-propan-2-ylpyrrolidin-3-ol;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-propan-2-ylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 3051383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).