5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde

C7H7NO2 — CID 28808650

IUPAC5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde
SMILESO=Cc1noc2c1CCC2
InChIInChI=1S/C7H7NO2/c9-4-6-5-2-1-3-7(5)10-8-6/h4H,1-3H2
InChIKeyLLWSLAFYWVMZEW-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.98
Rot. Bonds1

About 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde

5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde (PubChem CID 28808650) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde
PubChem CID28808650
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde
SMILESO=Cc1noc2c1CCC2
InChIInChI=1S/C7H7NO2/c9-4-6-5-2-1-3-7(5)10-8-6/h4H,1-3H2
InChIKeyLLWSLAFYWVMZEW-UHFFFAOYSA-N
XLogP0.98
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde 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 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde (CID 28808650) is 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde is O=Cc1noc2c1CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde?
The InChIKey is LLWSLAFYWVMZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c9-4-6-5-2-1-3-7(5)10-8-6/h4H,1-3H2.
What are the key properties of 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde?
5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde has a molecular weight of 137.14 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde is sourced from PubChem (CID 28808650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).