3-(N-hydroxy-C-methylcarbonimidoyl)-1-methyl-3H-indol-2-one

C11H12N2O2 — CID 117066666

IUPAC3-(N-hydroxy-C-methylcarbonimidoyl)-1-methyl-3H-indol-2-one
SMILESCC(=NO)C1C(=O)N(C)c2ccccc21
InChIInChI=1S/C11H12N2O2/c1-7(12-15)10-8-5-3-4-6-9(8)13(2)11(10)14/h3-6,10,15H,1-2H3
InChIKeyOBTVLNWLFNLIHE-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.60
Rot. Bonds1

About 3-(N-hydroxy-C-methylcarbonimidoyl)-1-methyl-3H-indol-2-one

3-(N-hydroxy-C-methylcarbonimidoyl)-1-methyl-3H-indol-2-one (PubChem CID 117066666) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(N-hydroxy-C-methylcarbonimidoyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-(N-hydroxy-C-methylcarbonimidoyl)-1-methyl-3H-indol-2-one
PubChem CID117066666
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(N-hydroxy-C-methylcarbonimidoyl)-1-methyl-3H-indol-2-one
SMILESCC(=NO)C1C(=O)N(C)c2ccccc21
InChIInChI=1S/C11H12N2O2/c1-7(12-15)10-8-5-3-4-6-9(8)13(2)11(10)14/h3-6,10,15H,1-2H3
InChIKeyOBTVLNWLFNLIHE-UHFFFAOYSA-N
XLogP1.60
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(N-hydroxy-C-methylcarbonimidoyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 3-(N-hydroxy-C-methylcarbonimidoyl)-1-methyl-3H-indol-2-one (CID 117066666) is 3-(N-hydroxy-C-methylcarbonimidoyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-(N-hydroxy-C-methylcarbonimidoyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-(N-hydroxy-C-methylcarbonimidoyl)-1-methyl-3H-indol-2-one is CC(=NO)C1C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-(N-hydroxy-C-methylcarbonimidoyl)-1-methyl-3H-indol-2-one?
The InChIKey is OBTVLNWLFNLIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(12-15)10-8-5-3-4-6-9(8)13(2)11(10)14/h3-6,10,15H,1-2H3.
What are the key properties of 3-(N-hydroxy-C-methylcarbonimidoyl)-1-methyl-3H-indol-2-one?
3-(N-hydroxy-C-methylcarbonimidoyl)-1-methyl-3H-indol-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-hydroxy-C-methylcarbonimidoyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 117066666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).