4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one

C12H16N2O2 — CID 168501534

IUPAC4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(CC(=O)N2CCCC2)C1
InChIInChI=1S/C12H16N2O2/c1-2-10-7-11(15)14(8-10)9-12(16)13-5-3-4-6-13/h1,10H,3-9H2
InChIKeyPTDPSLRFVUDXDY-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.09
Rot. Bonds2

About 4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one

4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one (PubChem CID 168501534) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
PubChem CID168501534
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(CC(=O)N2CCCC2)C1
InChIInChI=1S/C12H16N2O2/c1-2-10-7-11(15)14(8-10)9-12(16)13-5-3-4-6-13/h1,10H,3-9H2
InChIKeyPTDPSLRFVUDXDY-UHFFFAOYSA-N
XLogP0.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide
CID 168500605
4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
CID 168504855
methyl 5-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxylate
CID 168694070
5-amino-4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one
CID 79355244
2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N-propylacetamide
CID 168500453
1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
CID 62230805
4-ethynyl-1-[(1-hydroxycyclobutyl)methyl]pyrrolidin-2-one
CID 168501543
1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one
CID 168501550
4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168501595
1-(2,2-dimethoxyethyl)-4-ethynylpyrrolidin-2-one
CID 168500673
1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168500489
1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501612

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one?
The IUPAC name of 4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one (CID 168501534) is 4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one is C#CC1CC(=O)N(CC(=O)N2CCCC2)C1.
What is the InChIKey of 4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one?
The InChIKey is PTDPSLRFVUDXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-10-7-11(15)14(8-10)9-12(16)13-5-3-4-6-13/h1,10H,3-9H2.
What are the key properties of 4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one?
4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 168501534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).