3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazol-3-yl]piperidine-2,6-dione

C15H19N3O2 — CID 176933299

IUPAC3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazol-3-yl]piperidine-2,6-dione
SMILESC/C=C\C=c1/c(=C\C)c(C2CCC(=O)NC2=O)nn1C
InChIInChI=1S/C15H19N3O2/c1-4-6-7-12-10(5-2)14(17-18(12)3)11-8-9-13(19)16-15(11)20/h4-7,11H,8-9H2,1-3H3,(H,16,19,20)/b6-4-,10-5+,12-7+
InChIKeyQZJMJNLBOFEZJT-AHBAVFGYSA-N
MW273.34 g/mol
LogP0.10
Rot. Bonds2

About 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazol-3-yl]piperidine-2,6-dione

3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazol-3-yl]piperidine-2,6-dione (PubChem CID 176933299) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazol-3-yl]piperidine-2,6-dione
PubChem CID176933299
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazol-3-yl]piperidine-2,6-dione
SMILESC/C=C\C=c1/c(=C\C)c(C2CCC(=O)NC2=O)nn1C
InChIInChI=1S/C15H19N3O2/c1-4-6-7-12-10(5-2)14(17-18(12)3)11-8-9-13(19)16-15(11)20/h4-7,11H,8-9H2,1-3H3,(H,16,19,20)/b6-4-,10-5+,12-7+
InChIKeyQZJMJNLBOFEZJT-AHBAVFGYSA-N
XLogP0.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-[5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]piperidine-2,6-dione
CID 167470499
3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione
CID 171786204
3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione
CID 162510232
3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione
CID 178017694
3-(7-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione
CID 176508930
3-(6-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione
CID 176508925
3-(1,7,7-trimethylcyclohepta[c]pyrazol-3-yl)piperidine-2,6-dione
CID 175620442
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione
CID 138460739
3-(6-ethyl-5-hydroxy-1-methylindazol-3-yl)piperidine-2,6-dione
CID 177160916
3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321612
1-[3-(2,6-dioxopiperidin-3-yl)-5-fluoro-1-methylindazol-6-yl]piperidine-4-carbaldehyde
CID 177144627

Frequently Asked Questions

What is the IUPAC name of 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazol-3-yl]piperidine-2,6-dione (CID 176933299) is 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazol-3-yl]piperidine-2,6-dione is C/C=C\C=c1/c(=C\C)c(C2CCC(=O)NC2=O)nn1C.
What is the InChIKey of 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazol-3-yl]piperidine-2,6-dione?
The InChIKey is QZJMJNLBOFEZJT-AHBAVFGYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-6-7-12-10(5-2)14(17-18(12)3)11-8-9-13(19)16-15(11)20/h4-7,11H,8-9H2,1-3H3,(H,16,19,20)/b6-4-,10-5+,12-7+.
What are the key properties of 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazol-3-yl]piperidine-2,6-dione?
3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazol-3-yl]piperidine-2,6-dione has a molecular weight of 273.34 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 176933299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).