2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde

C13H17NO2 — CID 114798182

IUPAC2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde
SMILESO=Cc1ccccc1N1CCC(CCO)C1
InChIInChI=1S/C13H17NO2/c15-8-6-11-5-7-14(9-11)13-4-2-1-3-12(13)10-16/h1-4,10-11,15H,5-9H2
InChIKeyXLRSUZRARHELRK-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.71
Rot. Bonds4

About 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde

2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde (PubChem CID 114798182) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde
PubChem CID114798182
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde
SMILESO=Cc1ccccc1N1CCC(CCO)C1
InChIInChI=1S/C13H17NO2/c15-8-6-11-5-7-14(9-11)13-4-2-1-3-12(13)10-16/h1-4,10-11,15H,5-9H2
InChIKeyXLRSUZRARHELRK-UHFFFAOYSA-N
XLogP1.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(methoxymethyl)pyrrolidin-1-yl]benzaldehyde
CID 64597755
2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol
CID 117028454
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one
CID 114798027
2-(4-ethylpiperidin-1-yl)benzaldehyde
CID 61421010
2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol
CID 117028471
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 114798372
2-(4-benzylpiperidin-1-yl)benzaldehyde
CID 43167857
2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde
CID 114054274
2-[1-(3-chloro-2-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 114799159
2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde
CID 89110178
2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol
CID 62358143
5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]benzaldehyde
CID 112626066

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde?
The IUPAC name of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde (CID 114798182) is 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde?
The canonical SMILES for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde is O=Cc1ccccc1N1CCC(CCO)C1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde?
The InChIKey is XLRSUZRARHELRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-8-6-11-5-7-14(9-11)13-4-2-1-3-12(13)10-16/h1-4,10-11,15H,5-9H2.
What are the key properties of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde?
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde has a molecular weight of 219.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde is sourced from PubChem (CID 114798182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).