3-hydroxy-5-nitro-1,3-dihydroindol-2-one

C8H6N2O4 — CID 61361847

IUPAC3-hydroxy-5-nitro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc([N+](=O)[O-])cc2C1O
InChIInChI=1S/C8H6N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3,7,11H,(H,9,12)
InChIKeyKIXIVPGTXLUMED-UHFFFAOYSA-N
MW194.15 g/mol
LogP0.58
Rot. Bonds1

About 3-hydroxy-5-nitro-1,3-dihydroindol-2-one

3-hydroxy-5-nitro-1,3-dihydroindol-2-one (PubChem CID 61361847) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol. Its IUPAC name is 3-hydroxy-5-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-5-nitro-1,3-dihydroindol-2-one
PubChem CID61361847
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC Name3-hydroxy-5-nitro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc([N+](=O)[O-])cc2C1O
InChIInChI=1S/C8H6N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3,7,11H,(H,9,12)
InChIKeyKIXIVPGTXLUMED-UHFFFAOYSA-N
XLogP0.58
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-heptyl-5-nitro-1,3-dihydroindol-2-one
CID 106987083
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CID 121221418
3-heptan-3-yl-5-nitro-1,3-dihydroindol-2-one
CID 106986908
3-methyl-7-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 4860868
6-nitro-1a,3-dihydro-1H-diazirino[1,3-a]quinoxalin-2-one
CID 163552280
3-[N-(4-bromophenyl)-C-phenylcarbonimidoyl]-5-nitro-1,3-dihydroindol-2-one
CID 57035067
3-(4-nitrophenyl)-1,3-dihydroindol-2-one
CID 112758281
3-hydroxy-7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 616119
5-bromo-3-(4-nitroanilino)-1,3-dihydroindol-2-one
CID 43719812
(2R,3R)-3-hydroxy-7-nitro-2-propyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 15430149
8-nitro-1,3,4,6-tetrahydro-1,6-benzodiazocine-2,5-dione
CID 5252616
2-(5-nitro-2-oxo-1H-indol-3-ylidene)propanedinitrile
CID 3374314

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-5-nitro-1,3-dihydroindol-2-one (CID 61361847) is 3-hydroxy-5-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-5-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-5-nitro-1,3-dihydroindol-2-one is O=C1Nc2ccc([N+](=O)[O-])cc2C1O.
What is the InChIKey of 3-hydroxy-5-nitro-1,3-dihydroindol-2-one?
The InChIKey is KIXIVPGTXLUMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3,7,11H,(H,9,12).
What are the key properties of 3-hydroxy-5-nitro-1,3-dihydroindol-2-one?
3-hydroxy-5-nitro-1,3-dihydroindol-2-one has a molecular weight of 194.15 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 61361847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).