1-[4-(2-ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one

C13H17N3O — CID 15065551

IUPAC1-[4-(2-ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
SMILESCCc1nccn1CC#CCN1CCCC1=O
InChIInChI=1S/C13H17N3O/c1-2-12-14-7-11-15(12)8-3-4-9-16-10-5-6-13(16)17/h7,11H,2,5-6,8-10H2,1H3
InChIKeyJFEABMDQGGZUJL-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.07
Rot. Bonds3

About 1-[4-(2-ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one

1-[4-(2-ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one (PubChem CID 15065551) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[4-(2-ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
PubChem CID15065551
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[4-(2-ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
SMILESCCc1nccn1CC#CCN1CCCC1=O
InChIInChI=1S/C13H17N3O/c1-2-12-14-7-11-15(12)8-3-4-9-16-10-5-6-13(16)17/h7,11H,2,5-6,8-10H2,1H3
InChIKeyJFEABMDQGGZUJL-UHFFFAOYSA-N
XLogP1.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065550
1-Butyrylimidazole
CID 643404
1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 188401
1-(4-Imidazol-1-ylbut-2-ynyl)pyrrolidin-2-one
CID 15065548
1-[4-(4-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065549
1-[4-(2,4-Dimethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065552
1-(4-Imidazol-1-ylbut-2-ynyl)-5-methylpyrrolidin-2-one
CID 15065554
N-(4-imidazol-1-ylbut-2-ynyl)-N-methylacetamide
CID 15065557
1-(4-Imidazol-1-ylbut-2-ynyl)-3-methylimidazolidin-2-one
CID 15065577
1-(5-Imidazol-1-ylpent-3-yn-2-yl)pyrrolidin-2-one
CID 15065584
1-[5-(5-Methylimidazol-1-yl)pent-3-yn-2-yl]pyrrolidin-2-one
CID 15065585
N-methyl-N-[5-(2-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide
CID 19902300

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(2-ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one (CID 15065551) is 1-[4-(2-ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2-ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(2-ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one is CCc1nccn1CC#CCN1CCCC1=O.
What is the InChIKey of 1-[4-(2-ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one?
The InChIKey is JFEABMDQGGZUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-12-14-7-11-15(12)8-3-4-9-16-10-5-6-13(16)17/h7,11H,2,5-6,8-10H2,1H3.
What are the key properties of 1-[4-(2-ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one?
1-[4-(2-ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one is sourced from PubChem (CID 15065551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).