1-hydroxypyrrolidine-2-carbaldehyde

C5H9NO2 — CID 22604970

IUPAC1-hydroxypyrrolidine-2-carbaldehyde
SMILESO=CC1CCCN1O
InChIInChI=1S/C5H9NO2/c7-4-5-2-1-3-6(5)8/h4-5,8H,1-3H2
InChIKeyQFPJIXSKTFLHMK-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.04
Rot. Bonds1

About 1-hydroxypyrrolidine-2-carbaldehyde

1-hydroxypyrrolidine-2-carbaldehyde (PubChem CID 22604970) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 1-hydroxypyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-hydroxypyrrolidine-2-carbaldehyde
PubChem CID22604970
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name1-hydroxypyrrolidine-2-carbaldehyde
SMILESO=CC1CCCN1O
InChIInChI=1S/C5H9NO2/c7-4-5-2-1-3-6(5)8/h4-5,8H,1-3H2
InChIKeyQFPJIXSKTFLHMK-UHFFFAOYSA-N
XLogP0.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.04
H-Bond Donors ≤ 51
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 1-hydroxypyrrolidine-2-carbaldehyde?
The IUPAC name of 1-hydroxypyrrolidine-2-carbaldehyde (CID 22604970) is 1-hydroxypyrrolidine-2-carbaldehyde.
What is the SMILES notation for 1-hydroxypyrrolidine-2-carbaldehyde?
The canonical SMILES for 1-hydroxypyrrolidine-2-carbaldehyde is O=CC1CCCN1O.
What is the InChIKey of 1-hydroxypyrrolidine-2-carbaldehyde?
The InChIKey is QFPJIXSKTFLHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c7-4-5-2-1-3-6(5)8/h4-5,8H,1-3H2.
What are the key properties of 1-hydroxypyrrolidine-2-carbaldehyde?
1-hydroxypyrrolidine-2-carbaldehyde has a molecular weight of 115.13 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolidine-2-carbaldehyde is sourced from PubChem (CID 22604970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).