4-oxo-6,7-dihydropyrano[3,4-c]pyrrole-2-carbaldehyde

C8H7NO3 — CID 18414723

IUPAC4-oxo-6,7-dihydropyrano[3,4-c]pyrrole-2-carbaldehyde
SMILESO=Cn1cc2c(c1)C(=O)OCC2
InChIInChI=1S/C8H7NO3/c10-5-9-3-6-1-2-12-8(11)7(6)4-9/h3-5H,1-2H2
InChIKeySOVFKRAYYHQTJY-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.24
Rot. Bonds1

About 4-oxo-6,7-dihydropyrano[3,4-c]pyrrole-2-carbaldehyde

4-oxo-6,7-dihydropyrano[3,4-c]pyrrole-2-carbaldehyde (PubChem CID 18414723) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 4-oxo-6,7-dihydropyrano[3,4-c]pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4-oxo-6,7-dihydropyrano[3,4-c]pyrrole-2-carbaldehyde
PubChem CID18414723
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name4-oxo-6,7-dihydropyrano[3,4-c]pyrrole-2-carbaldehyde
SMILESO=Cn1cc2c(c1)C(=O)OCC2
InChIInChI=1S/C8H7NO3/c10-5-9-3-6-1-2-12-8(11)7(6)4-9/h3-5H,1-2H2
InChIKeySOVFKRAYYHQTJY-UHFFFAOYSA-N
XLogP0.24
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-oxo-6,7-dihydropyrano[3,4-c]pyrrole-2-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 4-oxo-6,7-dihydropyrano[3,4-c]pyrrole-2-carbaldehyde?
The IUPAC name of 4-oxo-6,7-dihydropyrano[3,4-c]pyrrole-2-carbaldehyde (CID 18414723) is 4-oxo-6,7-dihydropyrano[3,4-c]pyrrole-2-carbaldehyde.
What is the SMILES notation for 4-oxo-6,7-dihydropyrano[3,4-c]pyrrole-2-carbaldehyde?
The canonical SMILES for 4-oxo-6,7-dihydropyrano[3,4-c]pyrrole-2-carbaldehyde is O=Cn1cc2c(c1)C(=O)OCC2.
What is the InChIKey of 4-oxo-6,7-dihydropyrano[3,4-c]pyrrole-2-carbaldehyde?
The InChIKey is SOVFKRAYYHQTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c10-5-9-3-6-1-2-12-8(11)7(6)4-9/h3-5H,1-2H2.
What are the key properties of 4-oxo-6,7-dihydropyrano[3,4-c]pyrrole-2-carbaldehyde?
4-oxo-6,7-dihydropyrano[3,4-c]pyrrole-2-carbaldehyde has a molecular weight of 165.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6,7-dihydropyrano[3,4-c]pyrrole-2-carbaldehyde is sourced from PubChem (CID 18414723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).