2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide

C9H14N2O2 — CID 89129366

IUPAC2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide
SMILESC=C(C)NC(=O)C(=O)N1CCCC1
InChIInChI=1S/C9H14N2O2/c1-7(2)10-8(12)9(13)11-5-3-4-6-11/h1,3-6H2,2H3,(H,10,12)
InChIKeyRAGXAUMEMPTLJA-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.26
Rot. Bonds1

About 2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide

2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide (PubChem CID 89129366) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide
PubChem CID89129366
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide
SMILESC=C(C)NC(=O)C(=O)N1CCCC1
InChIInChI=1S/C9H14N2O2/c1-7(2)10-8(12)9(13)11-5-3-4-6-11/h1,3-6H2,2H3,(H,10,12)
InChIKeyRAGXAUMEMPTLJA-UHFFFAOYSA-N
XLogP0.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(azepan-1-yl)-2-methylprop-2-en-1-one
CID 22146478
ethyl 2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]acetate
CID 141279894
3-methyl-1-pyrrolidin-1-ylbut-3-ene-1,2-dione
CID 71318871
2-(azepan-1-yl)-N-ethyl-2-oxoacetamide
CID 108521159
ethene;1-pyrrolidin-1-ylethanone
CID 155736333
N-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide
CID 108508465
1-pyrrolidin-1-ylpentane-1,2,4-trione
CID 86731962
3-iodo-2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 173171873
N-(3-hydroxypropyl)-2-oxo-2-piperidin-1-ylacetamide
CID 108517228
N-(2-hydroxy-2-methylpropyl)-2-oxo-2-piperidin-1-ylacetamide
CID 176960450
2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide
CID 108504369
N-cycloheptyl-2-oxo-2-piperidin-1-ylacetamide
CID 2288056

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of 2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide (CID 89129366) is 2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for 2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for 2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide is C=C(C)NC(=O)C(=O)N1CCCC1.
What is the InChIKey of 2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide?
The InChIKey is RAGXAUMEMPTLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(2)10-8(12)9(13)11-5-3-4-6-11/h1,3-6H2,2H3,(H,10,12).
What are the key properties of 2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide?
2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide has a molecular weight of 182.22 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 89129366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).