(3S)-3-[4-[(E)-1-aminoprop-1-enyl]-5-ethenyl-3-methyl-2-oxoimidazol-1-yl]piperidine-2,6-dione

C14H18N4O3 — CID 177240420

IUPAC(3S)-3-[4-[(E)-1-aminoprop-1-enyl]-5-ethenyl-3-methyl-2-oxoimidazol-1-yl]piperidine-2,6-dione
SMILESC=Cc1c(/C(N)=C\C)n(C)c(=O)n1[C@H]1CCC(=O)NC1=O
InChIInChI=1S/C14H18N4O3/c1-4-8(15)12-9(5-2)18(14(21)17(12)3)10-6-7-11(19)16-13(10)20/h4-5,10H,2,6-7,15H2,1,3H3,(H,16,19,20)/b8-4+/t10-/m0/s1
InChIKeyLISADQATZKQGAL-GOJXHPMJSA-N
MW290.32 g/mol
LogP0.13
Rot. Bonds3

About (3S)-3-[4-[(E)-1-aminoprop-1-enyl]-5-ethenyl-3-methyl-2-oxoimidazol-1-yl]piperidine-2,6-dione

(3S)-3-[4-[(E)-1-aminoprop-1-enyl]-5-ethenyl-3-methyl-2-oxoimidazol-1-yl]piperidine-2,6-dione (PubChem CID 177240420) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (3S)-3-[4-[(E)-1-aminoprop-1-enyl]-5-ethenyl-3-methyl-2-oxoimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-[4-[(E)-1-aminoprop-1-enyl]-5-ethenyl-3-methyl-2-oxoimidazol-1-yl]piperidine-2,6-dione
PubChem CID177240420
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name(3S)-3-[4-[(E)-1-aminoprop-1-enyl]-5-ethenyl-3-methyl-2-oxoimidazol-1-yl]piperidine-2,6-dione
SMILESC=Cc1c(/C(N)=C\C)n(C)c(=O)n1[C@H]1CCC(=O)NC1=O
InChIInChI=1S/C14H18N4O3/c1-4-8(15)12-9(5-2)18(14(21)17(12)3)10-6-7-11(19)16-13(10)20/h4-5,10H,2,6-7,15H2,1,3H3,(H,16,19,20)/b8-4+/t10-/m0/s1
InChIKeyLISADQATZKQGAL-GOJXHPMJSA-N
XLogP0.13
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione
CID 156799097
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione
CID 171786204
3-(3-methyl-2-oxo-4-prop-1-en-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 164567593
2-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methyl-2-oxobenzimidazol-4-yl]acetaldehyde
CID 166948213
3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;ethane
CID 163400444
3-[4-(3-hydroxyprop-1-enyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 155391045
3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 156836715
3-[4-(4-aminopiperidin-1-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 156823555
3-[5-(4-but-3-enylphenyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 156799356
3-[5-[[4-(2,2-dihydroxyethyl)cyclohexyl]methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166754498
3-[5-(aminomethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;hydrochloride
CID 171934885

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-[(E)-1-aminoprop-1-enyl]-5-ethenyl-3-methyl-2-oxoimidazol-1-yl]piperidine-2,6-dione?
The IUPAC name of (3S)-3-[4-[(E)-1-aminoprop-1-enyl]-5-ethenyl-3-methyl-2-oxoimidazol-1-yl]piperidine-2,6-dione (CID 177240420) is (3S)-3-[4-[(E)-1-aminoprop-1-enyl]-5-ethenyl-3-methyl-2-oxoimidazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-[4-[(E)-1-aminoprop-1-enyl]-5-ethenyl-3-methyl-2-oxoimidazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for (3S)-3-[4-[(E)-1-aminoprop-1-enyl]-5-ethenyl-3-methyl-2-oxoimidazol-1-yl]piperidine-2,6-dione is C=Cc1c(/C(N)=C\C)n(C)c(=O)n1[C@H]1CCC(=O)NC1=O.
What is the InChIKey of (3S)-3-[4-[(E)-1-aminoprop-1-enyl]-5-ethenyl-3-methyl-2-oxoimidazol-1-yl]piperidine-2,6-dione?
The InChIKey is LISADQATZKQGAL-GOJXHPMJSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-4-8(15)12-9(5-2)18(14(21)17(12)3)10-6-7-11(19)16-13(10)20/h4-5,10H,2,6-7,15H2,1,3H3,(H,16,19,20)/b8-4+/t10-/m0/s1.
What are the key properties of (3S)-3-[4-[(E)-1-aminoprop-1-enyl]-5-ethenyl-3-methyl-2-oxoimidazol-1-yl]piperidine-2,6-dione?
(3S)-3-[4-[(E)-1-aminoprop-1-enyl]-5-ethenyl-3-methyl-2-oxoimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 290.32 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-[(E)-1-aminoprop-1-enyl]-5-ethenyl-3-methyl-2-oxoimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 177240420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).