3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal

C11H21NO2 — CID 114800023

IUPAC3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN1CCC(CCO)C1
InChIInChI=1S/C11H21NO2/c1-11(2,9-14)8-12-5-3-10(7-12)4-6-13/h9-10,13H,3-8H2,1-2H3
InChIKeyVGCCQUCSUPJZDU-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.92
Rot. Bonds5

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

3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal (PubChem CID 114800023) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
PubChem CID114800023
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN1CCC(CCO)C1
InChIInChI=1S/C11H21NO2/c1-11(2,9-14)8-12-5-3-10(7-12)4-6-13/h9-10,13H,3-8H2,1-2H3
InChIKeyVGCCQUCSUPJZDU-UHFFFAOYSA-N
XLogP0.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal 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-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]-2-methylbutanal
CID 114800024
3-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpropanal
CID 62275779
2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol
CID 114800052
2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol
CID 114800051
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 115679530
3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal
CID 63972792
2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
CID 114800154
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropanal
CID 62276374
methyl 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate
CID 115648226
4-(2-hydroxyethyl)piperidine-1-carbaldehyde
CID 7330460

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal?
The IUPAC name of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal (CID 114800023) is 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal?
The canonical SMILES for 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal is CC(C)(C=O)CN1CCC(CCO)C1.
What is the InChIKey of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal?
The InChIKey is VGCCQUCSUPJZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,9-14)8-12-5-3-10(7-12)4-6-13/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal?
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal has a molecular weight of 199.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal is sourced from PubChem (CID 114800023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).