3-(3-ethenyl-1-oxo-4-propan-2-ylideneisoindol-2-yl)piperidine-2,6-dione

C18H18N2O3 — CID 155710587

IUPAC3-(3-ethenyl-1-oxo-4-propan-2-ylideneisoindol-2-yl)piperidine-2,6-dione
SMILESC=CC1=c2c(cccc2=C(C)C)C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C18H18N2O3/c1-4-13-16-11(10(2)3)6-5-7-12(16)18(23)20(13)14-8-9-15(21)19-17(14)22/h4-7,14H,1,8-9H2,2-3H3,(H,19,21,22)
InChIKeyNBWILIASFIOKHY-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.43
Rot. Bonds2

About 3-(3-ethenyl-1-oxo-4-propan-2-ylideneisoindol-2-yl)piperidine-2,6-dione

3-(3-ethenyl-1-oxo-4-propan-2-ylideneisoindol-2-yl)piperidine-2,6-dione (PubChem CID 155710587) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(3-ethenyl-1-oxo-4-propan-2-ylideneisoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-ethenyl-1-oxo-4-propan-2-ylideneisoindol-2-yl)piperidine-2,6-dione
PubChem CID155710587
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-(3-ethenyl-1-oxo-4-propan-2-ylideneisoindol-2-yl)piperidine-2,6-dione
SMILESC=CC1=c2c(cccc2=C(C)C)C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C18H18N2O3/c1-4-13-16-11(10(2)3)6-5-7-12(16)18(23)20(13)14-8-9-15(21)19-17(14)22/h4-7,14H,1,8-9H2,2-3H3,(H,19,21,22)
InChIKeyNBWILIASFIOKHY-UHFFFAOYSA-N
XLogP0.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
bis((E)-but-2-enedioic acid);2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175735508
2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione
CID 156883025
4-(3,3-dimethylbut-1-enyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 176736560
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
3-[(3E)-3-ethylidene-4-methyl-1-oxoisoindol-2-yl]piperidine-2,6-dione
CID 177344144
1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile
CID 155194697
4-(4-acetylphenyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 46230589

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenyl-1-oxo-4-propan-2-ylideneisoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-ethenyl-1-oxo-4-propan-2-ylideneisoindol-2-yl)piperidine-2,6-dione (CID 155710587) is 3-(3-ethenyl-1-oxo-4-propan-2-ylideneisoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-ethenyl-1-oxo-4-propan-2-ylideneisoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-ethenyl-1-oxo-4-propan-2-ylideneisoindol-2-yl)piperidine-2,6-dione is C=CC1=c2c(cccc2=C(C)C)C(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(3-ethenyl-1-oxo-4-propan-2-ylideneisoindol-2-yl)piperidine-2,6-dione?
The InChIKey is NBWILIASFIOKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-4-13-16-11(10(2)3)6-5-7-12(16)18(23)20(13)14-8-9-15(21)19-17(14)22/h4-7,14H,1,8-9H2,2-3H3,(H,19,21,22).
What are the key properties of 3-(3-ethenyl-1-oxo-4-propan-2-ylideneisoindol-2-yl)piperidine-2,6-dione?
3-(3-ethenyl-1-oxo-4-propan-2-ylideneisoindol-2-yl)piperidine-2,6-dione has a molecular weight of 310.35 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenyl-1-oxo-4-propan-2-ylideneisoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 155710587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).