4-hydroxypyrrolidine-2-carbaldehyde

C5H9NO2 — CID 20648812

IUPAC4-hydroxypyrrolidine-2-carbaldehyde
SMILESO=CC1CC(O)CN1
InChIInChI=1S/C5H9NO2/c7-3-4-1-5(8)2-6-4/h3-6,8H,1-2H2
InChIKeyUGVVZFVORJSZDD-UHFFFAOYSA-N
MW115.13 g/mol
LogP-1.09
Rot. Bonds1

About 4-hydroxypyrrolidine-2-carbaldehyde

4-hydroxypyrrolidine-2-carbaldehyde (PubChem CID 20648812) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 4-hydroxypyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name4-hydroxypyrrolidine-2-carbaldehyde
PubChem CID20648812
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name4-hydroxypyrrolidine-2-carbaldehyde
SMILESO=CC1CC(O)CN1
InChIInChI=1S/C5H9NO2/c7-3-4-1-5(8)2-6-4/h3-6,8H,1-2H2
InChIKeyUGVVZFVORJSZDD-UHFFFAOYSA-N
XLogP-1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxypyrrolidine-2-carbaldehyde?
The IUPAC name of 4-hydroxypyrrolidine-2-carbaldehyde (CID 20648812) is 4-hydroxypyrrolidine-2-carbaldehyde.
What is the SMILES notation for 4-hydroxypyrrolidine-2-carbaldehyde?
The canonical SMILES for 4-hydroxypyrrolidine-2-carbaldehyde is O=CC1CC(O)CN1.
What is the InChIKey of 4-hydroxypyrrolidine-2-carbaldehyde?
The InChIKey is UGVVZFVORJSZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c7-3-4-1-5(8)2-6-4/h3-6,8H,1-2H2.
What are the key properties of 4-hydroxypyrrolidine-2-carbaldehyde?
4-hydroxypyrrolidine-2-carbaldehyde has a molecular weight of 115.13 g/mol, XLogP of -1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypyrrolidine-2-carbaldehyde is sourced from PubChem (CID 20648812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).