N-acetyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide

C13H20N2O2 — CID 14025465

IUPACN-acetyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide
SMILESCC(=O)N(C(C)=O)C(C)C#CCN1CCCC1
InChIInChI=1S/C13H20N2O2/c1-11(15(12(2)16)13(3)17)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3
InChIKeyJRNKPQVEBTTXNH-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.87
Rot. Bonds2

About N-acetyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide

N-acetyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide (PubChem CID 14025465) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-acetyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide
PubChem CID14025465
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-acetyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide
SMILESCC(=O)N(C(C)=O)C(C)C#CCN1CCCC1
InChIInChI=1S/C13H20N2O2/c1-11(15(12(2)16)13(3)17)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3
InChIKeyJRNKPQVEBTTXNH-UHFFFAOYSA-N
XLogP0.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-acetyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide 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 N-acetyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide?
The IUPAC name of N-acetyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide (CID 14025465) is N-acetyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide.
What is the SMILES notation for N-acetyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide?
The canonical SMILES for N-acetyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide is CC(=O)N(C(C)=O)C(C)C#CCN1CCCC1.
What is the InChIKey of N-acetyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide?
The InChIKey is JRNKPQVEBTTXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(15(12(2)16)13(3)17)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3.
What are the key properties of N-acetyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide?
N-acetyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide is sourced from PubChem (CID 14025465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).