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

C11H18N2O2 — CID 168684091

IUPAC2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N-propylacetamide
SMILESC=CC1CC(=O)N(CC(=O)NCCC)C1
InChIInChI=1S/C11H18N2O2/c1-3-5-12-10(14)8-13-7-9(4-2)6-11(13)15/h4,9H,2-3,5-8H2,1H3,(H,12,14)
InChIKeyKDGBEKIPQPGMFW-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.55
Rot. Bonds5

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

2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N-propylacetamide (PubChem CID 168684091) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N-propylacetamide
PubChem CID168684091
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N-propylacetamide
SMILESC=CC1CC(=O)N(CC(=O)NCCC)C1
InChIInChI=1S/C11H18N2O2/c1-3-5-12-10(14)8-13-7-9(4-2)6-11(13)15/h4,9H,2-3,5-8H2,1H3,(H,12,14)
InChIKeyKDGBEKIPQPGMFW-UHFFFAOYSA-N
XLogP0.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N-propylacetamide (CID 168684091) is 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N-propylacetamide is C=CC1CC(=O)N(CC(=O)NCCC)C1.
What is the InChIKey of 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N-propylacetamide?
The InChIKey is KDGBEKIPQPGMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-5-12-10(14)8-13-7-9(4-2)6-11(13)15/h4,9H,2-3,5-8H2,1H3,(H,12,14).
What are the key properties of 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N-propylacetamide?
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N-propylacetamide has a molecular weight of 210.28 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-N-propylacetamide is sourced from PubChem (CID 168684091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).