2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N-propylacetamide

C11H16N2O2 — CID 168500453

IUPAC2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N-propylacetamide
SMILESC#CC1CC(=O)N(CC(=O)NCCC)C1
InChIInChI=1S/C11H16N2O2/c1-3-5-12-10(14)8-13-7-9(4-2)6-11(13)15/h2,9H,3,5-8H2,1H3,(H,12,14)
InChIKeyPDVTVFASISEAJB-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.01
Rot. Bonds4

About 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N-propylacetamide

2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N-propylacetamide (PubChem CID 168500453) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N-propylacetamide
PubChem CID168500453
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N-propylacetamide
SMILESC#CC1CC(=O)N(CC(=O)NCCC)C1
InChIInChI=1S/C11H16N2O2/c1-3-5-12-10(14)8-13-7-9(4-2)6-11(13)15/h2,9H,3,5-8H2,1H3,(H,12,14)
InChIKeyPDVTVFASISEAJB-UHFFFAOYSA-N
XLogP-0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N-propylacetamide
CID 168684091
2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide
CID 168500605
1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168500489
4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
CID 168501534
N-(2-hydroxyethyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 63100713
4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168501595
1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501612
1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one
CID 168501550
1-(2,2-dimethoxyethyl)-4-ethynylpyrrolidin-2-one
CID 168500673
1-[3-(diethylamino)propyl]-4-ethynylpyrrolidin-2-one
CID 168500476
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168500542
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propylacetamide
CID 56810104

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N-propylacetamide (CID 168500453) is 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N-propylacetamide is C#CC1CC(=O)N(CC(=O)NCCC)C1.
What is the InChIKey of 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N-propylacetamide?
The InChIKey is PDVTVFASISEAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-5-12-10(14)8-13-7-9(4-2)6-11(13)15/h2,9H,3,5-8H2,1H3,(H,12,14).
What are the key properties of 2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N-propylacetamide?
2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N-propylacetamide has a molecular weight of 208.26 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 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-propylacetamide is sourced from PubChem (CID 168500453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).