3-hydroxypyrrolidine-1-carbaldehyde

C5H9NO2 — CID 14456871

IUPAC3-hydroxypyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(O)C1
InChIInChI=1S/C5H9NO2/c7-4-6-2-1-5(8)3-6/h4-5,8H,1-3H2
InChIKeyHDACDDSPBQTVCH-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.79
Rot. Bonds1

About 3-hydroxypyrrolidine-1-carbaldehyde

3-hydroxypyrrolidine-1-carbaldehyde (PubChem CID 14456871) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 3-hydroxypyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-hydroxypyrrolidine-1-carbaldehyde
PubChem CID14456871
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name3-hydroxypyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(O)C1
InChIInChI=1S/C5H9NO2/c7-4-6-2-1-5(8)3-6/h4-5,8H,1-3H2
InChIKeyHDACDDSPBQTVCH-UHFFFAOYSA-N
XLogP-0.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypyrrolidine-1-carbaldehyde?
The IUPAC name of 3-hydroxypyrrolidine-1-carbaldehyde (CID 14456871) is 3-hydroxypyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3-hydroxypyrrolidine-1-carbaldehyde?
The canonical SMILES for 3-hydroxypyrrolidine-1-carbaldehyde is O=CN1CCC(O)C1.
What is the InChIKey of 3-hydroxypyrrolidine-1-carbaldehyde?
The InChIKey is HDACDDSPBQTVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c7-4-6-2-1-5(8)3-6/h4-5,8H,1-3H2.
What are the key properties of 3-hydroxypyrrolidine-1-carbaldehyde?
3-hydroxypyrrolidine-1-carbaldehyde has a molecular weight of 115.13 g/mol, XLogP of -0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypyrrolidine-1-carbaldehyde is sourced from PubChem (CID 14456871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).