2-hydroxyazetidine-1-carbaldehyde

C4H7NO2 — CID 54110328

IUPAC2-hydroxyazetidine-1-carbaldehyde
SMILESO=CN1CCC1O
InChIInChI=1S/C4H7NO2/c6-3-5-2-1-4(5)7/h3-4,7H,1-2H2
InChIKeyJRZGVPGPRWXFDM-UHFFFAOYSA-N
MW101.10 g/mol
LogP-0.83
Rot. Bonds1

About 2-hydroxyazetidine-1-carbaldehyde

2-hydroxyazetidine-1-carbaldehyde (PubChem CID 54110328) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is 2-hydroxyazetidine-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxyazetidine-1-carbaldehyde
PubChem CID54110328
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name2-hydroxyazetidine-1-carbaldehyde
SMILESO=CN1CCC1O
InChIInChI=1S/C4H7NO2/c6-3-5-2-1-4(5)7/h3-4,7H,1-2H2
InChIKeyJRZGVPGPRWXFDM-UHFFFAOYSA-N
XLogP-0.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.83
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 2-hydroxyazetidine-1-carbaldehyde?
The IUPAC name of 2-hydroxyazetidine-1-carbaldehyde (CID 54110328) is 2-hydroxyazetidine-1-carbaldehyde.
What is the SMILES notation for 2-hydroxyazetidine-1-carbaldehyde?
The canonical SMILES for 2-hydroxyazetidine-1-carbaldehyde is O=CN1CCC1O.
What is the InChIKey of 2-hydroxyazetidine-1-carbaldehyde?
The InChIKey is JRZGVPGPRWXFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c6-3-5-2-1-4(5)7/h3-4,7H,1-2H2.
What are the key properties of 2-hydroxyazetidine-1-carbaldehyde?
2-hydroxyazetidine-1-carbaldehyde has a molecular weight of 101.10 g/mol, XLogP of -0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyazetidine-1-carbaldehyde is sourced from PubChem (CID 54110328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).