(2-phenylpyrrolidin-2-yl)methanol

C11H15NO — CID 19960230

IUPAC(2-phenylpyrrolidin-2-yl)methanol
SMILESOCC1(c2ccccc2)CCCN1
InChIInChI=1S/C11H15NO/c13-9-11(7-4-8-12-11)10-5-2-1-3-6-10/h1-3,5-6,12-13H,4,7-9H2
InChIKeyCKMDMLWSEWIBLU-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.26
Rot. Bonds2

About (2-phenylpyrrolidin-2-yl)methanol

(2-phenylpyrrolidin-2-yl)methanol (PubChem CID 19960230) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2-phenylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(2-phenylpyrrolidin-2-yl)methanol
PubChem CID19960230
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2-phenylpyrrolidin-2-yl)methanol
SMILESOCC1(c2ccccc2)CCCN1
InChIInChI=1S/C11H15NO/c13-9-11(7-4-8-12-11)10-5-2-1-3-6-10/h1-3,5-6,12-13H,4,7-9H2
InChIKeyCKMDMLWSEWIBLU-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-phenylpyrrolidin-2-yl)methanol?
The IUPAC name of (2-phenylpyrrolidin-2-yl)methanol (CID 19960230) is (2-phenylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (2-phenylpyrrolidin-2-yl)methanol?
The canonical SMILES for (2-phenylpyrrolidin-2-yl)methanol is OCC1(c2ccccc2)CCCN1.
What is the InChIKey of (2-phenylpyrrolidin-2-yl)methanol?
The InChIKey is CKMDMLWSEWIBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c13-9-11(7-4-8-12-11)10-5-2-1-3-6-10/h1-3,5-6,12-13H,4,7-9H2.
What are the key properties of (2-phenylpyrrolidin-2-yl)methanol?
(2-phenylpyrrolidin-2-yl)methanol has a molecular weight of 177.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 19960230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).