4-hydroxy-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-dihydroindol-2-one

C10H10N2O3 — CID 135535889

IUPAC4-hydroxy-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-dihydroindol-2-one
SMILESC/C(=N\O)c1ccc2c(c1O)CC(=O)N2
InChIInChI=1S/C10H10N2O3/c1-5(12-15)6-2-3-8-7(10(6)14)4-9(13)11-8/h2-3,14-15H,4H2,1H3,(H,11,13)/b12-5+
InChIKeyQKHYQTXAGGIHEG-LFYBBSHMSA-N
MW206.20 g/mol
LogP1.09
Rot. Bonds1

About 4-hydroxy-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-dihydroindol-2-one

4-hydroxy-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-dihydroindol-2-one (PubChem CID 135535889) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-hydroxy-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-dihydroindol-2-one
PubChem CID135535889
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name4-hydroxy-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-dihydroindol-2-one
SMILESC/C(=N\O)c1ccc2c(c1O)CC(=O)N2
InChIInChI=1S/C10H10N2O3/c1-5(12-15)6-2-3-8-7(10(6)14)4-9(13)11-8/h2-3,14-15H,4H2,1H3,(H,11,13)/b12-5+
InChIKeyQKHYQTXAGGIHEG-LFYBBSHMSA-N
XLogP1.09
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-hydroxy-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-dihydroindol-2-one (CID 135535889) is 4-hydroxy-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-hydroxy-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-dihydroindol-2-one is C/C(=N\O)c1ccc2c(c1O)CC(=O)N2.
What is the InChIKey of 4-hydroxy-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-dihydroindol-2-one?
The InChIKey is QKHYQTXAGGIHEG-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-5(12-15)6-2-3-8-7(10(6)14)4-9(13)11-8/h2-3,14-15H,4H2,1H3,(H,11,13)/b12-5+.
What are the key properties of 4-hydroxy-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-dihydroindol-2-one?
4-hydroxy-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-dihydroindol-2-one has a molecular weight of 206.20 g/mol, XLogP of 1.09, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 135535889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).