3-(5-amino-7-oxo-6,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione

C13H15N3O3 — CID 68999394

IUPAC3-(5-amino-7-oxo-6,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESNC1=CC2=CN(C3CCC(=O)NC3=O)CC2C(=O)C1
InChIInChI=1S/C13H15N3O3/c14-8-3-7-5-16(6-9(7)11(17)4-8)10-1-2-12(18)15-13(10)19/h3,5,9-10H,1-2,4,6,14H2,(H,15,18,19)
InChIKeyWNJLQVGBRYTMDP-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.58
Rot. Bonds1

About 3-(5-amino-7-oxo-6,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione

3-(5-amino-7-oxo-6,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 68999394) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(5-amino-7-oxo-6,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-amino-7-oxo-6,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID68999394
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-(5-amino-7-oxo-6,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESNC1=CC2=CN(C3CCC(=O)NC3=O)CC2C(=O)C1
InChIInChI=1S/C13H15N3O3/c14-8-3-7-5-16(6-9(7)11(17)4-8)10-1-2-12(18)15-13(10)19/h3,5,9-10H,1-2,4,6,14H2,(H,15,18,19)
InChIKeyWNJLQVGBRYTMDP-UHFFFAOYSA-N
XLogP-0.58
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
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 3-(5-amino-7-oxo-6,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-amino-7-oxo-6,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione (CID 68999394) is 3-(5-amino-7-oxo-6,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-amino-7-oxo-6,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-amino-7-oxo-6,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione is NC1=CC2=CN(C3CCC(=O)NC3=O)CC2C(=O)C1.
What is the InChIKey of 3-(5-amino-7-oxo-6,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is WNJLQVGBRYTMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c14-8-3-7-5-16(6-9(7)11(17)4-8)10-1-2-12(18)15-13(10)19/h3,5,9-10H,1-2,4,6,14H2,(H,15,18,19).
What are the key properties of 3-(5-amino-7-oxo-6,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(5-amino-7-oxo-6,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 261.28 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-7-oxo-6,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 68999394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).