4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde

C17H18N2O2 — CID 57106797

IUPAC4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCC2CCCN2c2ccccn2)cc1
InChIInChI=1S/C17H18N2O2/c20-12-14-6-8-16(9-7-14)21-13-15-4-3-11-19(15)17-5-1-2-10-18-17/h1-2,5-10,12,15H,3-4,11,13H2
InChIKeyYUHCQSOWMWYOLF-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.94
Rot. Bonds5

About 4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde

4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde (PubChem CID 57106797) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde
PubChem CID57106797
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCC2CCCN2c2ccccn2)cc1
InChIInChI=1S/C17H18N2O2/c20-12-14-6-8-16(9-7-14)21-13-15-4-3-11-19(15)17-5-1-2-10-18-17/h1-2,5-10,12,15H,3-4,11,13H2
InChIKeyYUHCQSOWMWYOLF-UHFFFAOYSA-N
XLogP2.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.94
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 4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde?
The IUPAC name of 4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde (CID 57106797) is 4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde.
What is the SMILES notation for 4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde?
The canonical SMILES for 4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde is O=Cc1ccc(OCC2CCCN2c2ccccn2)cc1.
What is the InChIKey of 4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde?
The InChIKey is YUHCQSOWMWYOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-12-14-6-8-16(9-7-14)21-13-15-4-3-11-19(15)17-5-1-2-10-18-17/h1-2,5-10,12,15H,3-4,11,13H2.
What are the key properties of 4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde?
4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde has a molecular weight of 282.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde is sourced from PubChem (CID 57106797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).