3-(6-azido-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C13H11N5O3 — CID 151332702

IUPAC3-(6-azido-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILES[N-]=[N+]=Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C13H11N5O3/c14-17-16-8-1-2-9-7(5-8)6-18(13(9)21)10-3-4-11(19)15-12(10)20/h1-2,5,10H,3-4,6H2,(H,15,19,20)
InChIKeyOIUCJLJLWLCGBP-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.39
Rot. Bonds2

About 3-(6-azido-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

3-(6-azido-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 151332702) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is 3-(6-azido-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-azido-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID151332702
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC Name3-(6-azido-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILES[N-]=[N+]=Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C13H11N5O3/c14-17-16-8-1-2-9-7(5-8)6-18(13(9)21)10-3-4-11(19)15-12(10)20/h1-2,5,10H,3-4,6H2,(H,15,19,20)
InChIKeyOIUCJLJLWLCGBP-UHFFFAOYSA-N
XLogP1.39
TPSA115.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
3-(6-(114C)methylidyneazaniumyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156628917
3-(6-isocyano-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 140797643
2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione
CID 170628916
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
3-(3-oxo-6-pyrrolidin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166947626
3-[6-[methyl(methylidene)-λ4-sulfanyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177161115
3-[6-(2-bromoethoxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167272836
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
3-[6-[amino(dideuterio)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156629005
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146300156
(3R)-3-[6-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166778594

Frequently Asked Questions

What is the IUPAC name of 3-(6-azido-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-azido-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 151332702) is 3-(6-azido-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-azido-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-azido-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is [N-]=[N+]=Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(6-azido-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is OIUCJLJLWLCGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c14-17-16-8-1-2-9-7(5-8)6-18(13(9)21)10-3-4-11(19)15-12(10)20/h1-2,5,10H,3-4,6H2,(H,15,19,20).
What are the key properties of 3-(6-azido-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(6-azido-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 285.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-azido-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 151332702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).