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

C13H22N2O2 — CID 168683541

IUPAC4-ethenyl-1-(2-morpholin-4-ylpropyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CC(C)N2CCOCC2)C1
InChIInChI=1S/C13H22N2O2/c1-3-12-8-13(16)15(10-12)9-11(2)14-4-6-17-7-5-14/h3,11-12H,1,4-10H2,2H3
InChIKeyGPKAQORUADCJLD-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.74
Rot. Bonds4

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

4-ethenyl-1-(2-morpholin-4-ylpropyl)pyrrolidin-2-one (PubChem CID 168683541) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-ethenyl-1-(2-morpholin-4-ylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(2-morpholin-4-ylpropyl)pyrrolidin-2-one
PubChem CID168683541
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-ethenyl-1-(2-morpholin-4-ylpropyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CC(C)N2CCOCC2)C1
InChIInChI=1S/C13H22N2O2/c1-3-12-8-13(16)15(10-12)9-11(2)14-4-6-17-7-5-14/h3,11-12H,1,4-10H2,2H3
InChIKeyGPKAQORUADCJLD-UHFFFAOYSA-N
XLogP0.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

2-Methyl-1-morpholin-4-ylpent-4-en-1-one
CID 22628680
1-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-2-ethyl-2-methylbut-3-en-1-one
CID 122144585
(2R)-2-methyl-1-morpholin-4-ylpent-4-en-1-one
CID 12084219
1-(2-Morpholin-4-ylethyl)-5-prop-2-enylpyrrolidin-2-one
CID 58550080
1-[(3R)-3-ethenylmorpholin-4-yl]-3-methylbutan-1-one
CID 134421524
1-[(2S)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]pyrrolidin-2-one
CID 142905678
N-[(1-ethyl-2-pyrrolidinyl)methyl]-N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-3-butenamide
CID 45205969
(2S)-2-methyl-1-morpholin-4-ylpent-4-en-1-one
CID 100990985
(2S)-1-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-2-ethyl-2-methylbut-3-en-1-one
CID 124576007
(2R)-1-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-2-ethyl-2-methylbut-3-en-1-one
CID 124576008
(2S)-1-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-2-ethyl-2-methylbut-3-en-1-one
CID 124829635
(2R)-1-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-2-ethyl-2-methylbut-3-en-1-one
CID 124829636

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(2-morpholin-4-ylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(2-morpholin-4-ylpropyl)pyrrolidin-2-one (CID 168683541) is 4-ethenyl-1-(2-morpholin-4-ylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(2-morpholin-4-ylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(2-morpholin-4-ylpropyl)pyrrolidin-2-one is C=CC1CC(=O)N(CC(C)N2CCOCC2)C1.
What is the InChIKey of 4-ethenyl-1-(2-morpholin-4-ylpropyl)pyrrolidin-2-one?
The InChIKey is GPKAQORUADCJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-12-8-13(16)15(10-12)9-11(2)14-4-6-17-7-5-14/h3,11-12H,1,4-10H2,2H3.
What are the key properties of 4-ethenyl-1-(2-morpholin-4-ylpropyl)pyrrolidin-2-one?
4-ethenyl-1-(2-morpholin-4-ylpropyl)pyrrolidin-2-one has a molecular weight of 238.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(2-morpholin-4-ylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 168683541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).