2-(1-cyclobutyl-5-hydroxy-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C17H16N2O5 — CID 153053121

IUPAC2-(1-cyclobutyl-5-hydroxy-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1C(O)CC(N2C(=O)c3ccccc3C2=O)C(=O)N1C1CCC1
InChIInChI=1S/C17H16N2O5/c20-13-8-12(16(23)18(17(13)24)9-4-3-5-9)19-14(21)10-6-1-2-7-11(10)15(19)22/h1-2,6-7,9,12-13,20H,3-5,8H2
InChIKeyVHYQTLXZWLCXSN-UHFFFAOYSA-N
MW328.32 g/mol
LogP0.32
Rot. Bonds2

About 2-(1-cyclobutyl-5-hydroxy-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

2-(1-cyclobutyl-5-hydroxy-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 153053121) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-(1-cyclobutyl-5-hydroxy-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-cyclobutyl-5-hydroxy-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID153053121
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name2-(1-cyclobutyl-5-hydroxy-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1C(O)CC(N2C(=O)c3ccccc3C2=O)C(=O)N1C1CCC1
InChIInChI=1S/C17H16N2O5/c20-13-8-12(16(23)18(17(13)24)9-4-3-5-9)19-14(21)10-6-1-2-7-11(10)15(19)22/h1-2,6-7,9,12-13,20H,3-5,8H2
InChIKeyVHYQTLXZWLCXSN-UHFFFAOYSA-N
XLogP0.32
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutyl-5-hydroxy-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1-cyclobutyl-5-hydroxy-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 153053121) is 2-(1-cyclobutyl-5-hydroxy-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-cyclobutyl-5-hydroxy-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-cyclobutyl-5-hydroxy-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1C(O)CC(N2C(=O)c3ccccc3C2=O)C(=O)N1C1CCC1.
What is the InChIKey of 2-(1-cyclobutyl-5-hydroxy-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is VHYQTLXZWLCXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c20-13-8-12(16(23)18(17(13)24)9-4-3-5-9)19-14(21)10-6-1-2-7-11(10)15(19)22/h1-2,6-7,9,12-13,20H,3-5,8H2.
What are the key properties of 2-(1-cyclobutyl-5-hydroxy-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
2-(1-cyclobutyl-5-hydroxy-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 328.32 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutyl-5-hydroxy-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 153053121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).