2-(2,6-dioxopiperidin-3-yl)-5-(3-ethenylcyclobutyl)oxyisoindole-1,3-dione

C19H18N2O5 — CID 166769077

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-(3-ethenylcyclobutyl)oxyisoindole-1,3-dione
SMILESC=CC1CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C19H18N2O5/c1-2-10-7-12(8-10)26-11-3-4-13-14(9-11)19(25)21(18(13)24)15-5-6-16(22)20-17(15)23/h2-4,9-10,12,15H,1,5-8H2,(H,20,22,23)
InChIKeyQAMNGQPWAHOBPX-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.43
Rot. Bonds4

About 2-(2,6-dioxopiperidin-3-yl)-5-(3-ethenylcyclobutyl)oxyisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-(3-ethenylcyclobutyl)oxyisoindole-1,3-dione (PubChem CID 166769077) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-(3-ethenylcyclobutyl)oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-(3-ethenylcyclobutyl)oxyisoindole-1,3-dione
PubChem CID166769077
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-(3-ethenylcyclobutyl)oxyisoindole-1,3-dione
SMILESC=CC1CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C19H18N2O5/c1-2-10-7-12(8-10)26-11-3-4-13-14(9-11)19(25)21(18(13)24)15-5-6-16(22)20-17(15)23/h2-4,9-10,12,15H,1,5-8H2,(H,20,22,23)
InChIKeyQAMNGQPWAHOBPX-UHFFFAOYSA-N
XLogP1.43
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 176816727
2-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]acetaldehyde
CID 165371630
5-[3-(2,2-difluorobutoxy)cyclobutyl]oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167691108
5-[3-(2,2-difluoro-3-hydroxypropoxy)cyclobutyl]oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 165371283
2-(2,6-dioxopiperidin-3-yl)-5-[(1S,3R)-3-(4-methoxypiperazin-1-yl)cyclopentyl]oxyisoindole-1,3-dione
CID 134441108
5-(2-chloroethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 135147131
8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyoctanal
CID 170704041
5-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]pentanal
CID 134489138
5-[2-(azetidin-3-yloxy)ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 156867219
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-(3-ethenylcyclobutyl)oxyisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-(3-ethenylcyclobutyl)oxyisoindole-1,3-dione (CID 166769077) is 2-(2,6-dioxopiperidin-3-yl)-5-(3-ethenylcyclobutyl)oxyisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-(3-ethenylcyclobutyl)oxyisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-(3-ethenylcyclobutyl)oxyisoindole-1,3-dione is C=CC1CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-(3-ethenylcyclobutyl)oxyisoindole-1,3-dione?
The InChIKey is QAMNGQPWAHOBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-2-10-7-12(8-10)26-11-3-4-13-14(9-11)19(25)21(18(13)24)15-5-6-16(22)20-17(15)23/h2-4,9-10,12,15H,1,5-8H2,(H,20,22,23).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-(3-ethenylcyclobutyl)oxyisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-(3-ethenylcyclobutyl)oxyisoindole-1,3-dione has a molecular weight of 354.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-(3-ethenylcyclobutyl)oxyisoindole-1,3-dione is sourced from PubChem (CID 166769077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).