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

C12H19N3O — CID 15669678

IUPAC1-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one
SMILESCC(C#CCN1CCCC1)N1CCNC1=O
InChIInChI=1S/C12H19N3O/c1-11(15-10-6-13-12(15)16)5-4-9-14-7-2-3-8-14/h11H,2-3,6-10H2,1H3,(H,13,16)
InChIKeyBEDVCGGOYRSGOV-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.50
Rot. Bonds2

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

1-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one (PubChem CID 15669678) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one
PubChem CID15669678
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one
SMILESCC(C#CCN1CCCC1)N1CCNC1=O
InChIInChI=1S/C12H19N3O/c1-11(15-10-6-13-12(15)16)5-4-9-14-7-2-3-8-14/h11H,2-3,6-10H2,1H3,(H,13,16)
InChIKeyBEDVCGGOYRSGOV-UHFFFAOYSA-N
XLogP0.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(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-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one?
The IUPAC name of 1-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one (CID 15669678) is 1-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one is CC(C#CCN1CCCC1)N1CCNC1=O.
What is the InChIKey of 1-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one?
The InChIKey is BEDVCGGOYRSGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-11(15-10-6-13-12(15)16)5-4-9-14-7-2-3-8-14/h11H,2-3,6-10H2,1H3,(H,13,16).
What are the key properties of 1-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one?
1-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one has a molecular weight of 221.30 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one is sourced from PubChem (CID 15669678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).