1-(3-hydroxyimino-2H-indol-1-yl)ethanone

C10H10N2O2 — CID 71820179

IUPAC1-(3-hydroxyimino-2H-indol-1-yl)ethanone
SMILESCC(=O)N1CC(=NO)c2ccccc21
InChIInChI=1S/C10H10N2O2/c1-7(13)12-6-9(11-14)8-4-2-3-5-10(8)12/h2-5,14H,6H2,1H3
InChIKeyYRIHLUFLWVWVSO-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.23
Rot. Bonds

About 1-(3-hydroxyimino-2H-indol-1-yl)ethanone

1-(3-hydroxyimino-2H-indol-1-yl)ethanone (PubChem CID 71820179) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(3-hydroxyimino-2H-indol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxyimino-2H-indol-1-yl)ethanone
PubChem CID71820179
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-(3-hydroxyimino-2H-indol-1-yl)ethanone
SMILESCC(=O)N1CC(=NO)c2ccccc21
InChIInChI=1S/C10H10N2O2/c1-7(13)12-6-9(11-14)8-4-2-3-5-10(8)12/h2-5,14H,6H2,1H3
InChIKeyYRIHLUFLWVWVSO-UHFFFAOYSA-N
XLogP1.23
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.23
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 1-(3-hydroxyimino-2H-indol-1-yl)ethanone?
The IUPAC name of 1-(3-hydroxyimino-2H-indol-1-yl)ethanone (CID 71820179) is 1-(3-hydroxyimino-2H-indol-1-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxyimino-2H-indol-1-yl)ethanone?
The canonical SMILES for 1-(3-hydroxyimino-2H-indol-1-yl)ethanone is CC(=O)N1CC(=NO)c2ccccc21.
What is the InChIKey of 1-(3-hydroxyimino-2H-indol-1-yl)ethanone?
The InChIKey is YRIHLUFLWVWVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7(13)12-6-9(11-14)8-4-2-3-5-10(8)12/h2-5,14H,6H2,1H3.
What are the key properties of 1-(3-hydroxyimino-2H-indol-1-yl)ethanone?
1-(3-hydroxyimino-2H-indol-1-yl)ethanone has a molecular weight of 190.20 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyimino-2H-indol-1-yl)ethanone is sourced from PubChem (CID 71820179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).