1-(5-hydroxy-1-propan-2-ylpyrrolidin-3-yl)ethanone

C9H17NO2 — CID 123563837

IUPAC1-(5-hydroxy-1-propan-2-ylpyrrolidin-3-yl)ethanone
SMILESCC(=O)C1CC(O)N(C(C)C)C1
InChIInChI=1S/C9H17NO2/c1-6(2)10-5-8(7(3)11)4-9(10)12/h6,8-9,12H,4-5H2,1-3H3
InChIKeyCYQHQMSPPMLIKD-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.62
Rot. Bonds2

About 1-(5-hydroxy-1-propan-2-ylpyrrolidin-3-yl)ethanone

1-(5-hydroxy-1-propan-2-ylpyrrolidin-3-yl)ethanone (PubChem CID 123563837) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(5-hydroxy-1-propan-2-ylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-1-propan-2-ylpyrrolidin-3-yl)ethanone
PubChem CID123563837
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(5-hydroxy-1-propan-2-ylpyrrolidin-3-yl)ethanone
SMILESCC(=O)C1CC(O)N(C(C)C)C1
InChIInChI=1S/C9H17NO2/c1-6(2)10-5-8(7(3)11)4-9(10)12/h6,8-9,12H,4-5H2,1-3H3
InChIKeyCYQHQMSPPMLIKD-UHFFFAOYSA-N
XLogP0.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-hydroxy-1-propan-2-ylpyrrolidin-3-yl)ethanone 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-(5-hydroxy-1-propan-2-ylpyrrolidin-3-yl)ethanone?
The IUPAC name of 1-(5-hydroxy-1-propan-2-ylpyrrolidin-3-yl)ethanone (CID 123563837) is 1-(5-hydroxy-1-propan-2-ylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-1-propan-2-ylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 1-(5-hydroxy-1-propan-2-ylpyrrolidin-3-yl)ethanone is CC(=O)C1CC(O)N(C(C)C)C1.
What is the InChIKey of 1-(5-hydroxy-1-propan-2-ylpyrrolidin-3-yl)ethanone?
The InChIKey is CYQHQMSPPMLIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)10-5-8(7(3)11)4-9(10)12/h6,8-9,12H,4-5H2,1-3H3.
What are the key properties of 1-(5-hydroxy-1-propan-2-ylpyrrolidin-3-yl)ethanone?
1-(5-hydroxy-1-propan-2-ylpyrrolidin-3-yl)ethanone has a molecular weight of 171.24 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-1-propan-2-ylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 123563837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).