1-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one

C8H15NO3 — CID 130721506

IUPAC1-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(O)(CO)C1
InChIInChI=1S/C8H15NO3/c1-2-7(11)9-4-3-8(12,5-9)6-10/h10,12H,2-6H2,1H3
InChIKeyUWNLWKCFQZYQSL-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.65
Rot. Bonds2

About 1-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one

1-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 130721506) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID130721506
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name1-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(O)(CO)C1
InChIInChI=1S/C8H15NO3/c1-2-7(11)9-4-3-8(12,5-9)6-10/h10,12H,2-6H2,1H3
InChIKeyUWNLWKCFQZYQSL-UHFFFAOYSA-N
XLogP-0.65
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propan-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-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one (CID 130721506) is 1-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(O)(CO)C1.
What is the InChIKey of 1-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is UWNLWKCFQZYQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-7(11)9-4-3-8(12,5-9)6-10/h10,12H,2-6H2,1H3.
What are the key properties of 1-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
1-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 173.21 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 130721506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).