1-(4-hydroxy-2-propan-2-ylpyrrolidin-1-yl)ethanone

C9H17NO2 — CID 23588936

IUPAC1-(4-hydroxy-2-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CC(O)CC1C(C)C
InChIInChI=1S/C9H17NO2/c1-6(2)9-4-8(12)5-10(9)7(3)11/h6,8-9,12H,4-5H2,1-3H3
InChIKeyPOVZGQXAWFEZDI-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.62
Rot. Bonds1

About 1-(4-hydroxy-2-propan-2-ylpyrrolidin-1-yl)ethanone

1-(4-hydroxy-2-propan-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 23588936) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(4-hydroxy-2-propan-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-2-propan-2-ylpyrrolidin-1-yl)ethanone
PubChem CID23588936
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(4-hydroxy-2-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CC(O)CC1C(C)C
InChIInChI=1S/C9H17NO2/c1-6(2)9-4-8(12)5-10(9)7(3)11/h6,8-9,12H,4-5H2,1-3H3
InChIKeyPOVZGQXAWFEZDI-UHFFFAOYSA-N
XLogP0.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-propan-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(4-hydroxy-2-propan-2-ylpyrrolidin-1-yl)ethanone (CID 23588936) is 1-(4-hydroxy-2-propan-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-2-propan-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(4-hydroxy-2-propan-2-ylpyrrolidin-1-yl)ethanone is CC(=O)N1CC(O)CC1C(C)C.
What is the InChIKey of 1-(4-hydroxy-2-propan-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is POVZGQXAWFEZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)9-4-8(12)5-10(9)7(3)11/h6,8-9,12H,4-5H2,1-3H3.
What are the key properties of 1-(4-hydroxy-2-propan-2-ylpyrrolidin-1-yl)ethanone?
1-(4-hydroxy-2-propan-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 171.24 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-propan-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 23588936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).