4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione

C13H10N2O4 — CID 97303764

IUPAC4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
SMILESO=C1CC[C@@H](c2cccc3c2C(=O)NC3=O)C(=O)N1
InChIInChI=1S/C13H10N2O4/c16-9-5-4-7(11(17)14-9)6-2-1-3-8-10(6)13(19)15-12(8)18/h1-3,7H,4-5H2,(H,14,16,17)(H,15,18,19)/t7-/m0/s1
InChIKeyJDRKRVCGVDJGQL-ZETCQYMHSA-N
MW258.23 g/mol
LogP0.09
Rot. Bonds1

About 4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione

4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione (PubChem CID 97303764) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
PubChem CID97303764
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
SMILESO=C1CC[C@@H](c2cccc3c2C(=O)NC3=O)C(=O)N1
InChIInChI=1S/C13H10N2O4/c16-9-5-4-7(11(17)14-9)6-2-1-3-8-10(6)13(19)15-12(8)18/h1-3,7H,4-5H2,(H,14,16,17)(H,15,18,19)/t7-/m0/s1
InChIKeyJDRKRVCGVDJGQL-ZETCQYMHSA-N
XLogP0.09
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione with MolForge

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Related Compounds

4-cyclopropylisoindole-1,3-dione
CID 54298107
3-(2-hydroxyphenyl)piperidine-2,6-dione
CID 171127243
4-(2,6-dioxopiperidin-3-yl)-5-piperazin-2-ylisoindole-1,3-dione
CID 175936868
3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione
CID 170184885
5-(1-deuteriopiperazin-2-yl)-4-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175936908
3-[3-bromo-2-(trifluoromethyl)phenyl]piperidine-2,6-dione
CID 171846052
4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione
CID 170631414
(3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione
CID 178099618
3-[2-chloro-3-[4-[(3-methyloxetan-3-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846725
3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione
CID 171127244
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006
3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846551

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione (CID 97303764) is 4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione is O=C1CC[C@@H](c2cccc3c2C(=O)NC3=O)C(=O)N1.
What is the InChIKey of 4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
The InChIKey is JDRKRVCGVDJGQL-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-9-5-4-7(11(17)14-9)6-2-1-3-8-10(6)13(19)15-12(8)18/h1-3,7H,4-5H2,(H,14,16,17)(H,15,18,19)/t7-/m0/s1.
What are the key properties of 4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione has a molecular weight of 258.23 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 97303764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).