2-pyrrolidin-1-ylphenol

C10H13NO — CID 2734845

IUPAC2-pyrrolidin-1-ylphenol
SMILESOc1ccccc1N1CCCC1
InChIInChI=1S/C10H13NO/c12-10-6-2-1-5-9(10)11-7-3-4-8-11/h1-2,5-6,12H,3-4,7-8H2
InChIKeyZGSBDRFDXWRZAE-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.99
Rot. Bonds1

About 2-pyrrolidin-1-ylphenol

2-pyrrolidin-1-ylphenol (PubChem CID 2734845) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylphenol.

Molecular Properties

Compound Name2-pyrrolidin-1-ylphenol
PubChem CID2734845
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-pyrrolidin-1-ylphenol
SMILESOc1ccccc1N1CCCC1
InChIInChI=1S/C10H13NO/c12-10-6-2-1-5-9(10)11-7-3-4-8-11/h1-2,5-6,12H,3-4,7-8H2
InChIKeyZGSBDRFDXWRZAE-UHFFFAOYSA-N
XLogP1.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylphenol?
The IUPAC name of 2-pyrrolidin-1-ylphenol (CID 2734845) is 2-pyrrolidin-1-ylphenol.
What is the SMILES notation for 2-pyrrolidin-1-ylphenol?
The canonical SMILES for 2-pyrrolidin-1-ylphenol is Oc1ccccc1N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylphenol?
The InChIKey is ZGSBDRFDXWRZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c12-10-6-2-1-5-9(10)11-7-3-4-8-11/h1-2,5-6,12H,3-4,7-8H2.
What are the key properties of 2-pyrrolidin-1-ylphenol?
2-pyrrolidin-1-ylphenol has a molecular weight of 163.22 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylphenol is sourced from PubChem (CID 2734845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).