1-(2-morpholin-4-ylethyl)-5-prop-2-enylpyrrolidin-2-one

C13H22N2O2 — CID 58550080

IUPAC1-(2-morpholin-4-ylethyl)-5-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1CCC(=O)N1CCN1CCOCC1
InChIInChI=1S/C13H22N2O2/c1-2-3-12-4-5-13(16)15(12)7-6-14-8-10-17-11-9-14/h2,12H,1,3-11H2
InChIKeyIWGLQZHMCJHZMR-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.89
Rot. Bonds5

About 1-(2-morpholin-4-ylethyl)-5-prop-2-enylpyrrolidin-2-one

1-(2-morpholin-4-ylethyl)-5-prop-2-enylpyrrolidin-2-one (PubChem CID 58550080) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-5-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-5-prop-2-enylpyrrolidin-2-one
PubChem CID58550080
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(2-morpholin-4-ylethyl)-5-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1CCC(=O)N1CCN1CCOCC1
InChIInChI=1S/C13H22N2O2/c1-2-3-12-4-5-13(16)15(12)7-6-14-8-10-17-11-9-14/h2,12H,1,3-11H2
InChIKeyIWGLQZHMCJHZMR-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
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-Morpholin-4-ylhept-6-en-1-one
CID 19855845
1-(2-Methoxyethyl)-5-prop-2-enylpyrrolidin-2-one
CID 58550039
1-[(2S)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]pyrrolidin-2-one
CID 142905678
(1-Cyclohex-2-en-1-ylpyrrolidin-2-yl)-morpholin-4-ylmethanone
CID 56789979
2-Amino-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 81774996
[(2R)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 95626134
[(2R)-1-[(1S)-cyclohex-2-en-1-yl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 95626135
[(2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 100575845
[(2S)-1-[(1S)-cyclohex-2-en-1-yl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 100849489
4-Ethenyl-1-(2-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 168683541
4-Ethenyl-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 168685246

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-5-prop-2-enylpyrrolidin-2-one?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-5-prop-2-enylpyrrolidin-2-one (CID 58550080) is 1-(2-morpholin-4-ylethyl)-5-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-5-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-5-prop-2-enylpyrrolidin-2-one is C=CCC1CCC(=O)N1CCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-5-prop-2-enylpyrrolidin-2-one?
The InChIKey is IWGLQZHMCJHZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-3-12-4-5-13(16)15(12)7-6-14-8-10-17-11-9-14/h2,12H,1,3-11H2.
What are the key properties of 1-(2-morpholin-4-ylethyl)-5-prop-2-enylpyrrolidin-2-one?
1-(2-morpholin-4-ylethyl)-5-prop-2-enylpyrrolidin-2-one has a molecular weight of 238.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-5-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 58550080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).