phenyl(pyrrolidin-2-yl)methanol

C11H15NO — CID 12628016

IUPACphenyl(pyrrolidin-2-yl)methanol
SMILESOC(c1ccccc1)C1CCCN1
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
InChIKeyYPMHBZQROFTOSU-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.47
Rot. Bonds2

About phenyl(pyrrolidin-2-yl)methanol

phenyl(pyrrolidin-2-yl)methanol (PubChem CID 12628016) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is phenyl(pyrrolidin-2-yl)methanol.

Molecular Properties

Compound Namephenyl(pyrrolidin-2-yl)methanol
PubChem CID12628016
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Namephenyl(pyrrolidin-2-yl)methanol
SMILESOC(c1ccccc1)C1CCCN1
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
InChIKeyYPMHBZQROFTOSU-UHFFFAOYSA-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 phenyl(pyrrolidin-2-yl)methanol?
The IUPAC name of phenyl(pyrrolidin-2-yl)methanol (CID 12628016) is phenyl(pyrrolidin-2-yl)methanol.
What is the SMILES notation for phenyl(pyrrolidin-2-yl)methanol?
The canonical SMILES for phenyl(pyrrolidin-2-yl)methanol is OC(c1ccccc1)C1CCCN1.
What is the InChIKey of phenyl(pyrrolidin-2-yl)methanol?
The InChIKey is YPMHBZQROFTOSU-UHFFFAOYSA-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.
What are the key properties of phenyl(pyrrolidin-2-yl)methanol?
phenyl(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 phenyl(pyrrolidin-2-yl)methanol is sourced from PubChem (CID 12628016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).