3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one

C14H9N3O4 — CID 135416717

IUPAC3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H9N3O4/c18-12-6-5-8(17(20)21)7-11(12)15-13-9-3-1-2-4-10(9)16-14(13)19/h1-7,18H,(H,15,16,19)
InChIKeyWBMCMAGPNXPTFW-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.37
Rot. Bonds2

About 3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one

3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one (PubChem CID 135416717) has the molecular formula C14H9N3O4 and a molecular weight of 283.24 g/mol. Its IUPAC name is 3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one
PubChem CID135416717
Molecular FormulaC14H9N3O4
Molecular Weight283.24 g/mol
Exact Mass283.06
IUPAC Name3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H9N3O4/c18-12-6-5-8(17(20)21)7-11(12)15-13-9-3-1-2-4-10(9)16-14(13)19/h1-7,18H,(H,15,16,19)
InChIKeyWBMCMAGPNXPTFW-UHFFFAOYSA-N
XLogP2.37
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one
CID 135519848
3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
CID 135406079
[(2-oxo-1H-indol-3-ylidene)amino] 3-nitrobenzoate
CID 136691655
(3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135603924
3-nitro-5,12-dihydrobenzo[c][1,6]benzodiazocine-6,11-dione
CID 3128964
3-[3-(hydroxymethyl)phenyl]imino-5-nitro-1H-indol-2-one
CID 135472416
3-(2-iodophenyl)imino-1H-indol-2-one
CID 135454715
methane;5-nitro-1H-indole-2,3-dione
CID 174942814
2-(methylideneamino)-4-nitrophenol
CID 153394573
3-(2,4-difluorophenyl)imino-1H-indol-2-one
CID 135473672
3-[(2-oxo-1H-indol-3-ylidene)amino]benzoate
CID 135516462
3-(4-tert-butylphenyl)imino-5-nitro-1H-indol-2-one
CID 135799773

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one?
The IUPAC name of 3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one (CID 135416717) is 3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one.
What is the SMILES notation for 3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one?
The canonical SMILES for 3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one?
The InChIKey is WBMCMAGPNXPTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O4/c18-12-6-5-8(17(20)21)7-11(12)15-13-9-3-1-2-4-10(9)16-14(13)19/h1-7,18H,(H,15,16,19).
What are the key properties of 3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one?
3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one has a molecular weight of 283.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135416717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).