2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide

C10H14N2O2 — CID 168500605

IUPAC2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide
SMILESC#CC1CC(=O)N(CC(=O)N(C)C)C1
InChIInChI=1S/C10H14N2O2/c1-4-8-5-9(13)12(6-8)7-10(14)11(2)3/h1,8H,5-7H2,2-3H3
InChIKeyAYXCNOINJSJQBF-UHFFFAOYSA-N
MW194.23 g/mol
LogP-0.44
Rot. Bonds2

About 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide

2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide (PubChem CID 168500605) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide
PubChem CID168500605
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide
SMILESC#CC1CC(=O)N(CC(=O)N(C)C)C1
InChIInChI=1S/C10H14N2O2/c1-4-8-5-9(13)12(6-8)7-10(14)11(2)3/h1,8H,5-7H2,2-3H3
InChIKeyAYXCNOINJSJQBF-UHFFFAOYSA-N
XLogP-0.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.44
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

4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
CID 168501534
2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N-propylacetamide
CID 168500453
1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one
CID 168501550
N,N-dimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetamide
CID 168717165
1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713837
1-(2,2-dimethoxyethyl)-4-ethynylpyrrolidin-2-one
CID 168500673
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168500542
1-[3-(diethylamino)propyl]-4-ethynylpyrrolidin-2-one
CID 168500476
1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168500489
4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168501595
4-ethynyl-1-[(1-hydroxycyclobutyl)methyl]pyrrolidin-2-one
CID 168501543
4-ethynyl-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
CID 168501340

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide (CID 168500605) is 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide is C#CC1CC(=O)N(CC(=O)N(C)C)C1.
What is the InChIKey of 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide?
The InChIKey is AYXCNOINJSJQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-8-5-9(13)12(6-8)7-10(14)11(2)3/h1,8H,5-7H2,2-3H3.
What are the key properties of 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide?
2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide has a molecular weight of 194.23 g/mol, XLogP of -0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 168500605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).