2-(2,6-dioxopiperidin-3-yl)-5-(5-hydroxypent-1-ynyl)isoindole-1,3-dione

C18H16N2O5 — CID 138695542

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-(5-hydroxypent-1-ynyl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(C#CCCCO)cc3C2=O)C(=O)N1
InChIInChI=1S/C18H16N2O5/c21-9-3-1-2-4-11-5-6-12-13(10-11)18(25)20(17(12)24)14-7-8-15(22)19-16(14)23/h5-6,10,14,21H,1,3,7-9H2,(H,19,22,23)
InChIKeyZJGYLKVBITYYHB-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.21
Rot. Bonds3

About 2-(2,6-dioxopiperidin-3-yl)-5-(5-hydroxypent-1-ynyl)isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-(5-hydroxypent-1-ynyl)isoindole-1,3-dione (PubChem CID 138695542) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-(5-hydroxypent-1-ynyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-(5-hydroxypent-1-ynyl)isoindole-1,3-dione
PubChem CID138695542
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-(5-hydroxypent-1-ynyl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(C#CCCCO)cc3C2=O)C(=O)N1
InChIInChI=1S/C18H16N2O5/c21-9-3-1-2-4-11-5-6-12-13(10-11)18(25)20(17(12)24)14-7-8-15(22)19-16(14)23/h5-6,10,14,21H,1,3,7-9H2,(H,19,22,23)
InChIKeyZJGYLKVBITYYHB-UHFFFAOYSA-N
XLogP0.21
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 165369330
2-(2,6-dioxopiperidin-3-yl)-5-(3-piperazin-1-ylprop-1-ynyl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
CID 175986991
2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-hydroxyethyl)piperazin-1-yl]isoindole-1,3-dione
CID 134414030
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
[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]boronic acid
CID 177125946
5-(azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846090
2-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]isoindole-1,3-dione
CID 170836142
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 134413720
2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione
CID 163290580
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-(5-hydroxypent-1-ynyl)isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-(5-hydroxypent-1-ynyl)isoindole-1,3-dione (CID 138695542) is 2-(2,6-dioxopiperidin-3-yl)-5-(5-hydroxypent-1-ynyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-(5-hydroxypent-1-ynyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-(5-hydroxypent-1-ynyl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(C#CCCCO)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-(5-hydroxypent-1-ynyl)isoindole-1,3-dione?
The InChIKey is ZJGYLKVBITYYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c21-9-3-1-2-4-11-5-6-12-13(10-11)18(25)20(17(12)24)14-7-8-15(22)19-16(14)23/h5-6,10,14,21H,1,3,7-9H2,(H,19,22,23).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-(5-hydroxypent-1-ynyl)isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-(5-hydroxypent-1-ynyl)isoindole-1,3-dione has a molecular weight of 340.34 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-(5-hydroxypent-1-ynyl)isoindole-1,3-dione is sourced from PubChem (CID 138695542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).