3-hydroxy-4-nitroso-2,3-dihydroisoindol-1-one

C8H6N2O3 — CID 88557373

IUPAC3-hydroxy-4-nitroso-2,3-dihydroisoindol-1-one
SMILESO=Nc1cccc2c1C(O)NC2=O
InChIInChI=1S/C8H6N2O3/c11-7-4-2-1-3-5(10-13)6(4)8(12)9-7/h1-3,8,12H,(H,9,11)
InChIKeyPOWIMBMTHVTBOS-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.82
Rot. Bonds1

About 3-hydroxy-4-nitroso-2,3-dihydroisoindol-1-one

3-hydroxy-4-nitroso-2,3-dihydroisoindol-1-one (PubChem CID 88557373) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 3-hydroxy-4-nitroso-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-4-nitroso-2,3-dihydroisoindol-1-one
PubChem CID88557373
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name3-hydroxy-4-nitroso-2,3-dihydroisoindol-1-one
SMILESO=Nc1cccc2c1C(O)NC2=O
InChIInChI=1S/C8H6N2O3/c11-7-4-2-1-3-5(10-13)6(4)8(12)9-7/h1-3,8,12H,(H,9,11)
InChIKeyPOWIMBMTHVTBOS-UHFFFAOYSA-N
XLogP0.82
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-nitroso-2,3-dihydroisoindol-1-one?
The IUPAC name of 3-hydroxy-4-nitroso-2,3-dihydroisoindol-1-one (CID 88557373) is 3-hydroxy-4-nitroso-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 3-hydroxy-4-nitroso-2,3-dihydroisoindol-1-one?
The canonical SMILES for 3-hydroxy-4-nitroso-2,3-dihydroisoindol-1-one is O=Nc1cccc2c1C(O)NC2=O.
What is the InChIKey of 3-hydroxy-4-nitroso-2,3-dihydroisoindol-1-one?
The InChIKey is POWIMBMTHVTBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-7-4-2-1-3-5(10-13)6(4)8(12)9-7/h1-3,8,12H,(H,9,11).
What are the key properties of 3-hydroxy-4-nitroso-2,3-dihydroisoindol-1-one?
3-hydroxy-4-nitroso-2,3-dihydroisoindol-1-one has a molecular weight of 178.15 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-nitroso-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 88557373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).