2-(1-ethoxy-4,4-dimethylpyrrolidin-2-yl)-2-oxoacetaldehyde

C10H17NO3 — CID 175312688

IUPAC2-(1-ethoxy-4,4-dimethylpyrrolidin-2-yl)-2-oxoacetaldehyde
SMILESCCON1CC(C)(C)CC1C(=O)C=O
InChIInChI=1S/C10H17NO3/c1-4-14-11-7-10(2,3)5-8(11)9(13)6-12/h6,8H,4-5,7H2,1-3H3
InChIKeyMIDRYKJCCBNWFT-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.81
Rot. Bonds4

About 2-(1-ethoxy-4,4-dimethylpyrrolidin-2-yl)-2-oxoacetaldehyde

2-(1-ethoxy-4,4-dimethylpyrrolidin-2-yl)-2-oxoacetaldehyde (PubChem CID 175312688) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(1-ethoxy-4,4-dimethylpyrrolidin-2-yl)-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-(1-ethoxy-4,4-dimethylpyrrolidin-2-yl)-2-oxoacetaldehyde
PubChem CID175312688
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-(1-ethoxy-4,4-dimethylpyrrolidin-2-yl)-2-oxoacetaldehyde
SMILESCCON1CC(C)(C)CC1C(=O)C=O
InChIInChI=1S/C10H17NO3/c1-4-14-11-7-10(2,3)5-8(11)9(13)6-12/h6,8H,4-5,7H2,1-3H3
InChIKeyMIDRYKJCCBNWFT-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxyaziridine-2-carboxamide
CID 533738
(2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid
CID 131632229
bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 141285453
trans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine
CID 102199308
but-2-enedioic acid;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate)
CID 173111319
(2R)-1-ethoxycarbonyl-4,4-dimethylpiperidine-2-carboxylic acid
CID 57186307
2-(4-ethyl-4-methylpyrrolidin-2-yl)-2-oxoacetaldehyde
CID 174786113
4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 174906357
2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid
CID 90203134
bis(3-ethoxy-1,3-oxazolidin-2-yl)methanone
CID 175298941
tert-butyl 2-acetyl-4,4-dimethylpyrrolidine-1-carboxylate
CID 76789699
2-[4-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-yl]-2-oxoacetaldehyde
CID 174471334

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4,4-dimethylpyrrolidin-2-yl)-2-oxoacetaldehyde?
The IUPAC name of 2-(1-ethoxy-4,4-dimethylpyrrolidin-2-yl)-2-oxoacetaldehyde (CID 175312688) is 2-(1-ethoxy-4,4-dimethylpyrrolidin-2-yl)-2-oxoacetaldehyde.
What is the SMILES notation for 2-(1-ethoxy-4,4-dimethylpyrrolidin-2-yl)-2-oxoacetaldehyde?
The canonical SMILES for 2-(1-ethoxy-4,4-dimethylpyrrolidin-2-yl)-2-oxoacetaldehyde is CCON1CC(C)(C)CC1C(=O)C=O.
What is the InChIKey of 2-(1-ethoxy-4,4-dimethylpyrrolidin-2-yl)-2-oxoacetaldehyde?
The InChIKey is MIDRYKJCCBNWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-14-11-7-10(2,3)5-8(11)9(13)6-12/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 2-(1-ethoxy-4,4-dimethylpyrrolidin-2-yl)-2-oxoacetaldehyde?
2-(1-ethoxy-4,4-dimethylpyrrolidin-2-yl)-2-oxoacetaldehyde has a molecular weight of 199.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4,4-dimethylpyrrolidin-2-yl)-2-oxoacetaldehyde is sourced from PubChem (CID 175312688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).