azane;2-hydroxyisoindole-1,3-dione

C8H8N2O3 — CID 67653341

IUPACazane;2-hydroxyisoindole-1,3-dione
SMILESN.O=C1c2ccccc2C(=O)N1O
InChIInChI=1S/C8H5NO3.H3N/c10-7-5-3-1-2-4-6(5)8(11)9(7)12;/h1-4,12H;1H3
InChIKeyYHLDQHSDUQQNNU-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.83
Rot. Bonds

About azane;2-hydroxyisoindole-1,3-dione

azane;2-hydroxyisoindole-1,3-dione (PubChem CID 67653341) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is azane;2-hydroxyisoindole-1,3-dione.

Molecular Properties

Compound Nameazane;2-hydroxyisoindole-1,3-dione
PubChem CID67653341
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Nameazane;2-hydroxyisoindole-1,3-dione
SMILESN.O=C1c2ccccc2C(=O)N1O
InChIInChI=1S/C8H5NO3.H3N/c10-7-5-3-1-2-4-6(5)8(11)9(7)12;/h1-4,12H;1H3
InChIKeyYHLDQHSDUQQNNU-UHFFFAOYSA-N
XLogP0.83
TPSA92.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyisoindole-1,3-dione
CID 66775726
CID 66974961
CID 66974961
2-hydroxyisoindole-1,3-dione;propane
CID 143899638
2-deuteriooxyisoindole-1,3-dione
CID 146169877
2-hydroxy-5-(2-phenylethynyl)isoindole-1,3-dione
CID 71141187
gadolinium;2-hydroxybenzo[de]isoquinoline-1,3-dione
CID 174736073
2-hydroxy-4-methylisoindole-1,3-dione
CID 15893222
CID 58970820
CID 58970820
CID 58635188
CID 58635188
2-(2-hydroxypropan-2-yl)isoindole-1,3-dione
CID 10035842
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione
CID 11328819

Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxyisoindole-1,3-dione?
The IUPAC name of azane;2-hydroxyisoindole-1,3-dione (CID 67653341) is azane;2-hydroxyisoindole-1,3-dione.
What is the SMILES notation for azane;2-hydroxyisoindole-1,3-dione?
The canonical SMILES for azane;2-hydroxyisoindole-1,3-dione is N.O=C1c2ccccc2C(=O)N1O.
What is the InChIKey of azane;2-hydroxyisoindole-1,3-dione?
The InChIKey is YHLDQHSDUQQNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3.H3N/c10-7-5-3-1-2-4-6(5)8(11)9(7)12;/h1-4,12H;1H3.
What are the key properties of azane;2-hydroxyisoindole-1,3-dione?
azane;2-hydroxyisoindole-1,3-dione has a molecular weight of 180.16 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxyisoindole-1,3-dione is sourced from PubChem (CID 67653341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).