2-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde

C11H13NO3 — CID 121208404

IUPAC2-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde
SMILESO=Cc1cccn(CC2CCOC2)c1=O
InChIInChI=1S/C11H13NO3/c13-7-10-2-1-4-12(11(10)14)6-9-3-5-15-8-9/h1-2,4,7,9H,3,5-6,8H2
InChIKeyYOUYGIRYRDYLBM-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.70
Rot. Bonds3

About 2-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde

2-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde (PubChem CID 121208404) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde
PubChem CID121208404
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde
SMILESO=Cc1cccn(CC2CCOC2)c1=O
InChIInChI=1S/C11H13NO3/c13-7-10-2-1-4-12(11(10)14)6-9-3-5-15-8-9/h1-2,4,7,9H,3,5-6,8H2
InChIKeyYOUYGIRYRDYLBM-UHFFFAOYSA-N
XLogP0.70
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde (CID 121208404) is 2-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde is O=Cc1cccn(CC2CCOC2)c1=O.
What is the InChIKey of 2-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde?
The InChIKey is YOUYGIRYRDYLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-7-10-2-1-4-12(11(10)14)6-9-3-5-15-8-9/h1-2,4,7,9H,3,5-6,8H2.
What are the key properties of 2-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde?
2-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde has a molecular weight of 207.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 121208404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).