2-[(3R)-3-hydroxypyrrolidin-1-yl]acetaldehyde

C6H11NO2 — CID 90692786

IUPAC2-[(3R)-3-hydroxypyrrolidin-1-yl]acetaldehyde
SMILESO=CCN1CC[C@@H](O)C1
InChIInChI=1S/C6H11NO2/c8-4-3-7-2-1-6(9)5-7/h4,6,9H,1-3,5H2/t6-/m1/s1
InChIKeyUUUTWUHOTUHUHN-ZCFIWIBFSA-N
MW129.16 g/mol
LogP-0.75
Rot. Bonds2

About 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetaldehyde

2-[(3R)-3-hydroxypyrrolidin-1-yl]acetaldehyde (PubChem CID 90692786) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(3R)-3-hydroxypyrrolidin-1-yl]acetaldehyde
PubChem CID90692786
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-[(3R)-3-hydroxypyrrolidin-1-yl]acetaldehyde
SMILESO=CCN1CC[C@@H](O)C1
InChIInChI=1S/C6H11NO2/c8-4-3-7-2-1-6(9)5-7/h4,6,9H,1-3,5H2/t6-/m1/s1
InChIKeyUUUTWUHOTUHUHN-ZCFIWIBFSA-N
XLogP-0.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetaldehyde 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 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetaldehyde?
The IUPAC name of 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetaldehyde (CID 90692786) is 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetaldehyde?
The canonical SMILES for 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetaldehyde is O=CCN1CC[C@@H](O)C1.
What is the InChIKey of 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetaldehyde?
The InChIKey is UUUTWUHOTUHUHN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11NO2/c8-4-3-7-2-1-6(9)5-7/h4,6,9H,1-3,5H2/t6-/m1/s1.
What are the key properties of 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetaldehyde?
2-[(3R)-3-hydroxypyrrolidin-1-yl]acetaldehyde has a molecular weight of 129.16 g/mol, XLogP of -0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetaldehyde is sourced from PubChem (CID 90692786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).