1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one

C14H15NO2 — CID 88725731

IUPAC1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one
SMILESC#CC(C)Oc1ccccc1N1CCCC1=O
InChIInChI=1S/C14H15NO2/c1-3-11(2)17-13-8-5-4-7-12(13)15-10-6-9-14(15)16/h1,4-5,7-8,11H,6,9-10H2,2H3
InChIKeyZZYRNMUYCNEPFC-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.21
Rot. Bonds3

About 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one

1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one (PubChem CID 88725731) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one
PubChem CID88725731
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one
SMILESC#CC(C)Oc1ccccc1N1CCCC1=O
InChIInChI=1S/C14H15NO2/c1-3-11(2)17-13-8-5-4-7-12(13)15-10-6-9-14(15)16/h1,4-5,7-8,11H,6,9-10H2,2H3
InChIKeyZZYRNMUYCNEPFC-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-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-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one (CID 88725731) is 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one is C#CC(C)Oc1ccccc1N1CCCC1=O.
What is the InChIKey of 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one?
The InChIKey is ZZYRNMUYCNEPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-11(2)17-13-8-5-4-7-12(13)15-10-6-9-14(15)16/h1,4-5,7-8,11H,6,9-10H2,2H3.
What are the key properties of 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one?
1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-yn-2-yloxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 88725731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).