3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione

C15H18N2O3 — CID 144997340

IUPAC3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
SMILESC=C1CN(C2CCC(=O)NC2=O)C(=O)/C1=C/C=C(C)C
InChIInChI=1S/C15H18N2O3/c1-9(2)4-5-11-10(3)8-17(15(11)20)12-6-7-13(18)16-14(12)19/h4-5,12H,3,6-8H2,1-2H3,(H,16,18,19)/b11-5+
InChIKeyPIPMKKWMXAZMCS-VZUCSPMQSA-N
MW274.32 g/mol
LogP1.08
Rot. Bonds2

About 3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione

3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione (PubChem CID 144997340) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
PubChem CID144997340
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
SMILESC=C1CN(C2CCC(=O)NC2=O)C(=O)/C1=C/C=C(C)C
InChIInChI=1S/C15H18N2O3/c1-9(2)4-5-11-10(3)8-17(15(11)20)12-6-7-13(18)16-14(12)19/h4-5,12H,3,6-8H2,1-2H3,(H,16,18,19)/b11-5+
InChIKeyPIPMKKWMXAZMCS-VZUCSPMQSA-N
XLogP1.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[(2E)-2-[(4E)-1-(2,6-dioxopiperidin-3-yl)-4-ethylidene-2-oxopyrrolidin-3-ylidene]ethylidene]tungsten
CID 171627444
3-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 177212209
ethane;3-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane
CID 177212208
3-[4-methyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 155296764
3-[(3E,4Z)-4-butan-2-ylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-6-methylidenepiperidin-2-one;methanol
CID 163268113
3-(3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 123483431
3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 170609618
acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione
CID 176988345
3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 171627610
ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione
CID 177339089
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
3-[[(4E)-1-methyl-4-(3-methylbut-2-enylidene)-5-methylidenepyrazol-3-yl]amino]piperidine-2,6-dione;propane
CID 177240351

Frequently Asked Questions

What is the IUPAC name of 3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione (CID 144997340) is 3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione is C=C1CN(C2CCC(=O)NC2=O)C(=O)/C1=C/C=C(C)C.
What is the InChIKey of 3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione?
The InChIKey is PIPMKKWMXAZMCS-VZUCSPMQSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9(2)4-5-11-10(3)8-17(15(11)20)12-6-7-13(18)16-14(12)19/h4-5,12H,3,6-8H2,1-2H3,(H,16,18,19)/b11-5+.
What are the key properties of 3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione?
3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione has a molecular weight of 274.32 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 144997340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).