2-(4-ethyl-4-methylpyrrolidin-2-yl)-2-oxoacetaldehyde

C9H15NO2 — CID 174786113

IUPAC2-(4-ethyl-4-methylpyrrolidin-2-yl)-2-oxoacetaldehyde
SMILESCCC1(C)CNC(C(=O)C=O)C1
InChIInChI=1S/C9H15NO2/c1-3-9(2)4-7(10-6-9)8(12)5-11/h5,7,10H,3-4,6H2,1-2H3
InChIKeyIVXXJCRZKUDFIN-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.53
Rot. Bonds3

About 2-(4-ethyl-4-methylpyrrolidin-2-yl)-2-oxoacetaldehyde

2-(4-ethyl-4-methylpyrrolidin-2-yl)-2-oxoacetaldehyde (PubChem CID 174786113) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(4-ethyl-4-methylpyrrolidin-2-yl)-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-(4-ethyl-4-methylpyrrolidin-2-yl)-2-oxoacetaldehyde
PubChem CID174786113
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(4-ethyl-4-methylpyrrolidin-2-yl)-2-oxoacetaldehyde
SMILESCCC1(C)CNC(C(=O)C=O)C1
InChIInChI=1S/C9H15NO2/c1-3-9(2)4-7(10-6-9)8(12)5-11/h5,7,10H,3-4,6H2,1-2H3
InChIKeyIVXXJCRZKUDFIN-UHFFFAOYSA-N
XLogP0.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-ethyl-4-methylpyrrolidin-2-yl)-2-oxoacetaldehyde 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-[5-ethyl-5-(4-nitrophenyl)piperidin-2-yl]-2-oxoacetaldehyde
CID 174384150
4-ethyl-2-formyl-4-methylpyrrolidine-1-carboxylic acid
CID 90203403
2-(1-iodo-5,5-dimethylimidazolidin-4-yl)-2-oxoacetaldehyde
CID 174630609
(2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 54006314
2-(1,6-dimethyl-1,3-diazinan-4-yl)-2-oxoacetaldehyde
CID 174816226
2-(1-ethoxy-4,4-dimethylpyrrolidin-2-yl)-2-oxoacetaldehyde
CID 175312688
(2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid
CID 154707113
(2S,4S)-4-methylpyrrolidine-2,4-dicarboxylic acid
CID 131853528
(3S,6S)-2-tert-butyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 59493682
(2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 170166786
1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone
CID 142989381
(2,2,6,6-tetramethylpiperidin-4-yl) 10-oxodecanoate
CID 126551822

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methylpyrrolidin-2-yl)-2-oxoacetaldehyde?
The IUPAC name of 2-(4-ethyl-4-methylpyrrolidin-2-yl)-2-oxoacetaldehyde (CID 174786113) is 2-(4-ethyl-4-methylpyrrolidin-2-yl)-2-oxoacetaldehyde.
What is the SMILES notation for 2-(4-ethyl-4-methylpyrrolidin-2-yl)-2-oxoacetaldehyde?
The canonical SMILES for 2-(4-ethyl-4-methylpyrrolidin-2-yl)-2-oxoacetaldehyde is CCC1(C)CNC(C(=O)C=O)C1.
What is the InChIKey of 2-(4-ethyl-4-methylpyrrolidin-2-yl)-2-oxoacetaldehyde?
The InChIKey is IVXXJCRZKUDFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-9(2)4-7(10-6-9)8(12)5-11/h5,7,10H,3-4,6H2,1-2H3.
What are the key properties of 2-(4-ethyl-4-methylpyrrolidin-2-yl)-2-oxoacetaldehyde?
2-(4-ethyl-4-methylpyrrolidin-2-yl)-2-oxoacetaldehyde has a molecular weight of 169.22 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methylpyrrolidin-2-yl)-2-oxoacetaldehyde is sourced from PubChem (CID 174786113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).