3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione

C13H17N3O3 — CID 156799097

IUPAC3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione
SMILESC/C=C\c1c(C)n(C)c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C13H17N3O3/c1-4-5-9-8(2)15(3)13(19)16(9)10-6-7-11(17)14-12(10)18/h4-5,10H,6-7H2,1-3H3,(H,14,17,18)/b5-4-
InChIKeyOQEVMUSSNGCLOM-PLNGDYQASA-N
MW263.30 g/mol
LogP0.51
Rot. Bonds2

About 3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione

3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione (PubChem CID 156799097) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione
PubChem CID156799097
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione
SMILESC/C=C\c1c(C)n(C)c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C13H17N3O3/c1-4-5-9-8(2)15(3)13(19)16(9)10-6-7-11(17)14-12(10)18/h4-5,10H,6-7H2,1-3H3,(H,14,17,18)/b5-4-
InChIKeyOQEVMUSSNGCLOM-PLNGDYQASA-N
XLogP0.51
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione
CID 171786204
(3S)-3-[4-[(E)-1-aminoprop-1-enyl]-5-ethenyl-3-methyl-2-oxoimidazol-1-yl]piperidine-2,6-dione
CID 177240420
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 156836715
3-[4-methyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 155296764
3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;ethane
CID 163400444
ethane;3-[3-methyl-2-[(Z)-prop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]piperidine-2,6-dione;prop-1-yne
CID 176987810
3-[6-methyl-5-[(Z)-prop-1-enyl]-4-azaspiro[2.4]hept-5-en-4-yl]piperidine-2,6-dione
CID 176988235
3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 156712076
3-(4-ethyl-3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 176933360
3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 138727887
3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 138727888

Frequently Asked Questions

What is the IUPAC name of 3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione (CID 156799097) is 3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione is C/C=C\c1c(C)n(C)c(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of 3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione?
The InChIKey is OQEVMUSSNGCLOM-PLNGDYQASA-N. The full InChI is InChI=1S/C13H17N3O3/c1-4-5-9-8(2)15(3)13(19)16(9)10-6-7-11(17)14-12(10)18/h4-5,10H,6-7H2,1-3H3,(H,14,17,18)/b5-4-.
What are the key properties of 3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione?
3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione has a molecular weight of 263.30 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 156799097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).