1-[(2S)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]pyrrolidin-2-one

C12H18N2O3 — CID 142905678

IUPAC1-[(2S)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]pyrrolidin-2-one
SMILESC=C[C@@H](C(=O)N1CCOCC1)N1CCCC1=O
InChIInChI=1S/C12H18N2O3/c1-2-10(14-5-3-4-11(14)15)12(16)13-6-8-17-9-7-13/h2,10H,1,3-9H2/t10-/m0/s1
InChIKeyHWFPUXSAPMNJLR-JTQLQIEISA-N
MW238.29 g/mol
LogP0.02
Rot. Bonds3

About 1-[(2S)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]pyrrolidin-2-one

1-[(2S)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]pyrrolidin-2-one (PubChem CID 142905678) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[(2S)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]pyrrolidin-2-one
PubChem CID142905678
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-[(2S)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]pyrrolidin-2-one
SMILESC=C[C@@H](C(=O)N1CCOCC1)N1CCCC1=O
InChIInChI=1S/C12H18N2O3/c1-2-10(14-5-3-4-11(14)15)12(16)13-6-8-17-9-7-13/h2,10H,1,3-9H2/t10-/m0/s1
InChIKeyHWFPUXSAPMNJLR-JTQLQIEISA-N
XLogP0.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.02
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-Allyl-3-(4-morpholinyl)-2,5-pyrrolidinedione
CID 6459161
1-(2-Morpholin-4-ylethyl)-5-prop-2-enylpyrrolidin-2-one
CID 58550080
(3S)-3-morpholin-4-yl-1-prop-2-enylpyrrolidine-2,5-dione
CID 7455970
(3R)-3-morpholin-4-yl-1-prop-2-enylpyrrolidine-2,5-dione
CID 7455974
1-[2-(Morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 54875251
2-Amino-1-(3-morpholin-4-ylpyrrolidin-1-yl)pent-4-en-1-one
CID 81776864
2-(2-but-3-enoxyethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 114185334
Ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)-prop-2-enylamino]acetate
CID 115539069
4-(2-Oxo-1-prop-2-enylpyrrolidin-3-yl)morpholine-3-carboxamide
CID 132373258
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-[(2S)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]pyrrolidin-2-one (CID 142905678) is 1-[(2S)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]pyrrolidin-2-one is C=C[C@@H](C(=O)N1CCOCC1)N1CCCC1=O.
What is the InChIKey of 1-[(2S)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]pyrrolidin-2-one?
The InChIKey is HWFPUXSAPMNJLR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-10(14-5-3-4-11(14)15)12(16)13-6-8-17-9-7-13/h2,10H,1,3-9H2/t10-/m0/s1.
What are the key properties of 1-[(2S)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]pyrrolidin-2-one?
1-[(2S)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]pyrrolidin-2-one has a molecular weight of 238.29 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 142905678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).