4-ethynyl-1-(1-methylimidazol-2-yl)pyrrolidin-2-one

C10H11N3O — CID 168501466

IUPAC4-ethynyl-1-(1-methylimidazol-2-yl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2nccn2C)C1
InChIInChI=1S/C10H11N3O/c1-3-8-6-9(14)13(7-8)10-11-4-5-12(10)2/h1,4-5,8H,6-7H2,2H3
InChIKeyWOGOGNXRBQGRMW-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.41
Rot. Bonds1

About 4-ethynyl-1-(1-methylimidazol-2-yl)pyrrolidin-2-one

4-ethynyl-1-(1-methylimidazol-2-yl)pyrrolidin-2-one (PubChem CID 168501466) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-ethynyl-1-(1-methylimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1-(1-methylimidazol-2-yl)pyrrolidin-2-one
PubChem CID168501466
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-ethynyl-1-(1-methylimidazol-2-yl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2nccn2C)C1
InChIInChI=1S/C10H11N3O/c1-3-8-6-9(14)13(7-8)10-11-4-5-12(10)2/h1,4-5,8H,6-7H2,2H3
InChIKeyWOGOGNXRBQGRMW-UHFFFAOYSA-N
XLogP0.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.41
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

4-ethynyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-2-one
CID 168501389
[1-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676296
4-ethynyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 168501478
1-(3-chloropyrazin-2-yl)-4-ethynylpyrrolidin-2-one
CID 168503059
4-ethynyl-1-(3-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168501383
1-(5-bromopyrimidin-2-yl)-4-ethynylpyrrolidin-2-one
CID 168502516
4-ethynyl-1-(5-iodopyrimidin-2-yl)pyrrolidin-2-one
CID 168502519
4-ethynyl-1-(5-methoxypyrimidin-2-yl)pyrrolidin-2-one
CID 168500948
4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168501135
4-ethynyl-1-(4-methylphenyl)pyrrolidin-2-one
CID 168501132
1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one
CID 168500602
1-(3-amino-2-chloro-4-pyridinyl)-4-ethynylpyrrolidin-2-one
CID 168502470

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-(1-methylimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-ethynyl-1-(1-methylimidazol-2-yl)pyrrolidin-2-one (CID 168501466) is 4-ethynyl-1-(1-methylimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethynyl-1-(1-methylimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-ethynyl-1-(1-methylimidazol-2-yl)pyrrolidin-2-one is C#CC1CC(=O)N(c2nccn2C)C1.
What is the InChIKey of 4-ethynyl-1-(1-methylimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is WOGOGNXRBQGRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-3-8-6-9(14)13(7-8)10-11-4-5-12(10)2/h1,4-5,8H,6-7H2,2H3.
What are the key properties of 4-ethynyl-1-(1-methylimidazol-2-yl)pyrrolidin-2-one?
4-ethynyl-1-(1-methylimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 189.22 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-(1-methylimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168501466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).