1-(3,3-diethylpyrrolidin-1-yl)-2,2-diethylpent-4-en-1-one

C17H31NO — CID 129252513

IUPAC1-(3,3-diethylpyrrolidin-1-yl)-2,2-diethylpent-4-en-1-one
SMILESC=CCC(CC)(CC)C(=O)N1CCC(CC)(CC)C1
InChIInChI=1S/C17H31NO/c1-6-11-17(9-4,10-5)15(19)18-13-12-16(7-2,8-3)14-18/h6H,1,7-14H2,2-5H3
InChIKeyVVCMRCNCVJWRJN-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.41
Rot. Bonds7

About 1-(3,3-diethylpyrrolidin-1-yl)-2,2-diethylpent-4-en-1-one

1-(3,3-diethylpyrrolidin-1-yl)-2,2-diethylpent-4-en-1-one (PubChem CID 129252513) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(3,3-diethylpyrrolidin-1-yl)-2,2-diethylpent-4-en-1-one.

Molecular Properties

Compound Name1-(3,3-diethylpyrrolidin-1-yl)-2,2-diethylpent-4-en-1-one
PubChem CID129252513
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-(3,3-diethylpyrrolidin-1-yl)-2,2-diethylpent-4-en-1-one
SMILESC=CCC(CC)(CC)C(=O)N1CCC(CC)(CC)C1
InChIInChI=1S/C17H31NO/c1-6-11-17(9-4,10-5)15(19)18-13-12-16(7-2,8-3)14-18/h6H,1,7-14H2,2-5H3
InChIKeyVVCMRCNCVJWRJN-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3,3-diethylpyrrolidin-1-yl)-2,2-diethylpent-4-en-1-one 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 1-(3,3-diethylpyrrolidin-1-yl)-2,2-diethylpent-4-en-1-one?
The IUPAC name of 1-(3,3-diethylpyrrolidin-1-yl)-2,2-diethylpent-4-en-1-one (CID 129252513) is 1-(3,3-diethylpyrrolidin-1-yl)-2,2-diethylpent-4-en-1-one.
What is the SMILES notation for 1-(3,3-diethylpyrrolidin-1-yl)-2,2-diethylpent-4-en-1-one?
The canonical SMILES for 1-(3,3-diethylpyrrolidin-1-yl)-2,2-diethylpent-4-en-1-one is C=CCC(CC)(CC)C(=O)N1CCC(CC)(CC)C1.
What is the InChIKey of 1-(3,3-diethylpyrrolidin-1-yl)-2,2-diethylpent-4-en-1-one?
The InChIKey is VVCMRCNCVJWRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-6-11-17(9-4,10-5)15(19)18-13-12-16(7-2,8-3)14-18/h6H,1,7-14H2,2-5H3.
What are the key properties of 1-(3,3-diethylpyrrolidin-1-yl)-2,2-diethylpent-4-en-1-one?
1-(3,3-diethylpyrrolidin-1-yl)-2,2-diethylpent-4-en-1-one has a molecular weight of 265.44 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethylpyrrolidin-1-yl)-2,2-diethylpent-4-en-1-one is sourced from PubChem (CID 129252513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).