4-ethynyl-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-2-one

C12H14N2O — CID 168501682

IUPAC4-ethynyl-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-2-one
SMILESC#CC1CC(=O)N(CCc2ccc[nH]2)C1
InChIInChI=1S/C12H14N2O/c1-2-10-8-12(15)14(9-10)7-5-11-4-3-6-13-11/h1,3-4,6,10,13H,5,7-9H2
InChIKeyFNYRYEXJIDZZMJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.04
Rot. Bonds3

About 4-ethynyl-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-2-one

4-ethynyl-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-2-one (PubChem CID 168501682) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-ethynyl-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-2-one
PubChem CID168501682
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-ethynyl-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-2-one
SMILESC#CC1CC(=O)N(CCc2ccc[nH]2)C1
InChIInChI=1S/C12H14N2O/c1-2-10-8-12(15)14(9-10)7-5-11-4-3-6-13-11/h1,3-4,6,10,13H,5,7-9H2
InChIKeyFNYRYEXJIDZZMJ-UHFFFAOYSA-N
XLogP1.04
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethynyl-1-[2-(1H-pyrrol-2-yl)ethyl]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

Related Compounds

1-[2-(2-chlorophenyl)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501653
1-[2-(4-bromophenyl)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501644
1-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501641
1-[2-(2,1,3-benzoxadiazol-4-yl)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501691
4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one
CID 168501798
4-ethynyl-1-(2-phenylmethoxyethyl)pyrrolidin-2-one
CID 168501625
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168500542
4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 168501624
4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one
CID 168501619
1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168500489
4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168501595
1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501612

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-ethynyl-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-2-one (CID 168501682) is 4-ethynyl-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethynyl-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethynyl-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-2-one is C#CC1CC(=O)N(CCc2ccc[nH]2)C1.
What is the InChIKey of 4-ethynyl-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-2-one?
The InChIKey is FNYRYEXJIDZZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-10-8-12(15)14(9-10)7-5-11-4-3-6-13-11/h1,3-4,6,10,13H,5,7-9H2.
What are the key properties of 4-ethynyl-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-2-one?
4-ethynyl-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-2-one has a molecular weight of 202.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168501682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).