4-hydroxy-3-pyrrolidin-1-ylbutan-2-one

C8H15NO2 — CID 23008914

IUPAC4-hydroxy-3-pyrrolidin-1-ylbutan-2-one
SMILESCC(=O)C(CO)N1CCCC1
InChIInChI=1S/C8H15NO2/c1-7(11)8(6-10)9-4-2-3-5-9/h8,10H,2-6H2,1H3
InChIKeyRAIWJBOEHSJHFD-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.03
Rot. Bonds3

About 4-hydroxy-3-pyrrolidin-1-ylbutan-2-one

4-hydroxy-3-pyrrolidin-1-ylbutan-2-one (PubChem CID 23008914) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-hydroxy-3-pyrrolidin-1-ylbutan-2-one.

Molecular Properties

Compound Name4-hydroxy-3-pyrrolidin-1-ylbutan-2-one
PubChem CID23008914
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-hydroxy-3-pyrrolidin-1-ylbutan-2-one
SMILESCC(=O)C(CO)N1CCCC1
InChIInChI=1S/C8H15NO2/c1-7(11)8(6-10)9-4-2-3-5-9/h8,10H,2-6H2,1H3
InChIKeyRAIWJBOEHSJHFD-UHFFFAOYSA-N
XLogP0.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-pyrrolidin-1-ylbutan-2-one?
The IUPAC name of 4-hydroxy-3-pyrrolidin-1-ylbutan-2-one (CID 23008914) is 4-hydroxy-3-pyrrolidin-1-ylbutan-2-one.
What is the SMILES notation for 4-hydroxy-3-pyrrolidin-1-ylbutan-2-one?
The canonical SMILES for 4-hydroxy-3-pyrrolidin-1-ylbutan-2-one is CC(=O)C(CO)N1CCCC1.
What is the InChIKey of 4-hydroxy-3-pyrrolidin-1-ylbutan-2-one?
The InChIKey is RAIWJBOEHSJHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(11)8(6-10)9-4-2-3-5-9/h8,10H,2-6H2,1H3.
What are the key properties of 4-hydroxy-3-pyrrolidin-1-ylbutan-2-one?
4-hydroxy-3-pyrrolidin-1-ylbutan-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-pyrrolidin-1-ylbutan-2-one is sourced from PubChem (CID 23008914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).