2-(3-hydroxyphenyl)-2-pyrrolidin-3-ylacetaldehyde

C12H15NO2 — CID 105457558

IUPAC2-(3-hydroxyphenyl)-2-pyrrolidin-3-ylacetaldehyde
SMILESO=CC(c1cccc(O)c1)C1CCNC1
InChIInChI=1S/C12H15NO2/c14-8-12(10-4-5-13-7-10)9-2-1-3-11(15)6-9/h1-3,6,8,10,12-13,15H,4-5,7H2
InChIKeyOVAPTSQIQZLLOS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.28
Rot. Bonds3

About 2-(3-hydroxyphenyl)-2-pyrrolidin-3-ylacetaldehyde

2-(3-hydroxyphenyl)-2-pyrrolidin-3-ylacetaldehyde (PubChem CID 105457558) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-2-pyrrolidin-3-ylacetaldehyde.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-2-pyrrolidin-3-ylacetaldehyde
PubChem CID105457558
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(3-hydroxyphenyl)-2-pyrrolidin-3-ylacetaldehyde
SMILESO=CC(c1cccc(O)c1)C1CCNC1
InChIInChI=1S/C12H15NO2/c14-8-12(10-4-5-13-7-10)9-2-1-3-11(15)6-9/h1-3,6,8,10,12-13,15H,4-5,7H2
InChIKeyOVAPTSQIQZLLOS-UHFFFAOYSA-N
XLogP1.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-hydroxyphenyl)-2-pyrrolidin-3-ylacetaldehyde 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 2-(3-hydroxyphenyl)-2-pyrrolidin-3-ylacetaldehyde?
The IUPAC name of 2-(3-hydroxyphenyl)-2-pyrrolidin-3-ylacetaldehyde (CID 105457558) is 2-(3-hydroxyphenyl)-2-pyrrolidin-3-ylacetaldehyde.
What is the SMILES notation for 2-(3-hydroxyphenyl)-2-pyrrolidin-3-ylacetaldehyde?
The canonical SMILES for 2-(3-hydroxyphenyl)-2-pyrrolidin-3-ylacetaldehyde is O=CC(c1cccc(O)c1)C1CCNC1.
What is the InChIKey of 2-(3-hydroxyphenyl)-2-pyrrolidin-3-ylacetaldehyde?
The InChIKey is OVAPTSQIQZLLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-8-12(10-4-5-13-7-10)9-2-1-3-11(15)6-9/h1-3,6,8,10,12-13,15H,4-5,7H2.
What are the key properties of 2-(3-hydroxyphenyl)-2-pyrrolidin-3-ylacetaldehyde?
2-(3-hydroxyphenyl)-2-pyrrolidin-3-ylacetaldehyde has a molecular weight of 205.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-2-pyrrolidin-3-ylacetaldehyde is sourced from PubChem (CID 105457558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).