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

C17H18N2O2 — CID 11129755

IUPAC4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde
SMILESO=Cc1ccc(OC[C@@H]2CCCN2c2ccccn2)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/t15-/m0/s1
InChIKeyYUHCQSOWMWYOLF-HNNXBMFYSA-N
MW282.34 g/mol
LogP2.94
Rot. Bonds5

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

4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde (PubChem CID 11129755) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde
PubChem CID11129755
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde
SMILESO=Cc1ccc(OC[C@@H]2CCCN2c2ccccn2)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/t15-/m0/s1
InChIKeyYUHCQSOWMWYOLF-HNNXBMFYSA-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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Related Compounds

4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 57106797
methyl 2-methyl-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methyl]-1,3-dioxane-2-carboxylate
CID 11495600
1-pyridin-2-ylpiperidine-2-carbaldehyde
CID 62665226
tert-butyl-dimethyl-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]silane
CID 177415257
N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 166303846
(5Z)-5-[[4-[[(2S)-1-quinolin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10502811
2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine
CID 133377119
4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 133310050
3-methyl-6-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166303869
1-pyridin-2-ylpiperidine-3-carbaldehyde
CID 62664160
2-methyl-7-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166303847
2-methyl-7-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166260444

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde?
The IUPAC name of 4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde (CID 11129755) is 4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde.
What is the SMILES notation for 4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde?
The canonical SMILES for 4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde is O=Cc1ccc(OC[C@@H]2CCCN2c2ccccn2)cc1.
What is the InChIKey of 4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde?
The InChIKey is YUHCQSOWMWYOLF-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of 4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde?
4-[[(2S)-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-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde is sourced from PubChem (CID 11129755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).