1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropan-1-one

C13H17NO2 — CID 21186619

IUPAC1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)c1ccc(O)cc1)N1CCCC1
InChIInChI=1S/C13H17NO2/c1-10(14-8-2-3-9-14)13(16)11-4-6-12(15)7-5-11/h4-7,10,15H,2-3,8-9H2,1H3
InChIKeyBXBVOHKJJYOAGK-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.06
Rot. Bonds3

About 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropan-1-one

1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 21186619) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropan-1-one
PubChem CID21186619
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)c1ccc(O)cc1)N1CCCC1
InChIInChI=1S/C13H17NO2/c1-10(14-8-2-3-9-14)13(16)11-4-6-12(15)7-5-11/h4-7,10,15H,2-3,8-9H2,1H3
InChIKeyBXBVOHKJJYOAGK-UHFFFAOYSA-N
XLogP2.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropan-1-one (CID 21186619) is 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropan-1-one is CC(C(=O)c1ccc(O)cc1)N1CCCC1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BXBVOHKJJYOAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(14-8-2-3-9-14)13(16)11-4-6-12(15)7-5-11/h4-7,10,15H,2-3,8-9H2,1H3.
What are the key properties of 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropan-1-one?
1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 21186619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).