1-methyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one

C13H21N3O — CID 19753304

IUPAC1-methyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one
SMILESCC(C#CCN1CCCC1)N1CCN(C)C1=O
InChIInChI=1S/C13H21N3O/c1-12(16-11-10-14(2)13(16)17)6-5-9-15-7-3-4-8-15/h12H,3-4,7-11H2,1-2H3
InChIKeyKPDAZKLVALJBHP-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.84
Rot. Bonds2

About 1-methyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one

1-methyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one (PubChem CID 19753304) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-methyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one
PubChem CID19753304
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-methyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one
SMILESCC(C#CCN1CCCC1)N1CCN(C)C1=O
InChIInChI=1S/C13H21N3O/c1-12(16-11-10-14(2)13(16)17)6-5-9-15-7-3-4-8-15/h12H,3-4,7-11H2,1-2H3
InChIKeyKPDAZKLVALJBHP-UHFFFAOYSA-N
XLogP0.84
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-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-methyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one?
The IUPAC name of 1-methyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one (CID 19753304) is 1-methyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one is CC(C#CCN1CCCC1)N1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one?
The InChIKey is KPDAZKLVALJBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-12(16-11-10-14(2)13(16)17)6-5-9-15-7-3-4-8-15/h12H,3-4,7-11H2,1-2H3.
What are the key properties of 1-methyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one?
1-methyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one has a molecular weight of 235.33 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one is sourced from PubChem (CID 19753304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).