4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one

C13H22N2O2 — CID 168685224

IUPAC4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C13H22N2O2/c1-2-12-10-13(16)15(11-12)5-3-4-14-6-8-17-9-7-14/h2,12H,1,3-11H2
InChIKeyXONMLKQWDJBALE-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.74
Rot. Bonds5

About 4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one

4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one (PubChem CID 168685224) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
PubChem CID168685224
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C13H22N2O2/c1-2-12-10-13(16)15(11-12)5-3-4-14-6-8-17-9-7-14/h2,12H,1,3-11H2
InChIKeyXONMLKQWDJBALE-UHFFFAOYSA-N
XLogP0.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(azepan-1-yl)propyl]-4-ethenylpyrrolidin-2-one
CID 168685223
4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one
CID 168684281
4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 168688552
4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one
CID 168683531
4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one
CID 168685200
4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one
CID 168685210
4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168685234
4-ethenyl-1-hexylpyrrolidin-2-one
CID 168684076
4-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 168685259
(3S)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 29257686
1-(3-morpholin-4-ylpropyl)-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-4-one
CID 11150658
5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 79354825

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one (CID 168685224) is 4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one is C=CC1CC(=O)N(CCCN2CCOCC2)C1.
What is the InChIKey of 4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
The InChIKey is XONMLKQWDJBALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-12-10-13(16)15(11-12)5-3-4-14-6-8-17-9-7-14/h2,12H,1,3-11H2.
What are the key properties of 4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one has a molecular weight of 238.33 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 168685224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).