3-ethyl-4,4-dimethylpyrrolidine-2,2-dicarbaldehyde

C10H17NO2 — CID 57277173

IUPAC3-ethyl-4,4-dimethylpyrrolidine-2,2-dicarbaldehyde
SMILESCCC1C(C)(C)CNC1(C=O)C=O
InChIInChI=1S/C10H17NO2/c1-4-8-9(2,3)5-11-10(8,6-12)7-13/h6-8,11H,4-5H2,1-3H3
InChIKeyXLRSDMFBURQHOL-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.78
Rot. Bonds3

About 3-ethyl-4,4-dimethylpyrrolidine-2,2-dicarbaldehyde

3-ethyl-4,4-dimethylpyrrolidine-2,2-dicarbaldehyde (PubChem CID 57277173) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-ethyl-4,4-dimethylpyrrolidine-2,2-dicarbaldehyde.

Molecular Properties

Compound Name3-ethyl-4,4-dimethylpyrrolidine-2,2-dicarbaldehyde
PubChem CID57277173
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-ethyl-4,4-dimethylpyrrolidine-2,2-dicarbaldehyde
SMILESCCC1C(C)(C)CNC1(C=O)C=O
InChIInChI=1S/C10H17NO2/c1-4-8-9(2,3)5-11-10(8,6-12)7-13/h6-8,11H,4-5H2,1-3H3
InChIKeyXLRSDMFBURQHOL-UHFFFAOYSA-N
XLogP0.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-ethyl-4,4-dimethylpyrrolidine-2,2-dicarbaldehyde 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 3-ethyl-4,4-dimethylpyrrolidine-2,2-dicarbaldehyde?
The IUPAC name of 3-ethyl-4,4-dimethylpyrrolidine-2,2-dicarbaldehyde (CID 57277173) is 3-ethyl-4,4-dimethylpyrrolidine-2,2-dicarbaldehyde.
What is the SMILES notation for 3-ethyl-4,4-dimethylpyrrolidine-2,2-dicarbaldehyde?
The canonical SMILES for 3-ethyl-4,4-dimethylpyrrolidine-2,2-dicarbaldehyde is CCC1C(C)(C)CNC1(C=O)C=O.
What is the InChIKey of 3-ethyl-4,4-dimethylpyrrolidine-2,2-dicarbaldehyde?
The InChIKey is XLRSDMFBURQHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-8-9(2,3)5-11-10(8,6-12)7-13/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-4,4-dimethylpyrrolidine-2,2-dicarbaldehyde?
3-ethyl-4,4-dimethylpyrrolidine-2,2-dicarbaldehyde has a molecular weight of 183.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,4-dimethylpyrrolidine-2,2-dicarbaldehyde is sourced from PubChem (CID 57277173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).