2-methoxyiminoindene-1,3-dione

C10H7NO3 — CID 594173

IUPAC2-methoxyiminoindene-1,3-dione
SMILESCON=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C10H7NO3/c1-14-11-8-9(12)6-4-2-3-5-7(6)10(8)13/h2-5H,1H3
InChIKeyQRJTXUNKAYTDFO-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.10
Rot. Bonds1

About 2-methoxyiminoindene-1,3-dione

2-methoxyiminoindene-1,3-dione (PubChem CID 594173) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-methoxyiminoindene-1,3-dione.

Molecular Properties

Compound Name2-methoxyiminoindene-1,3-dione
PubChem CID594173
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name2-methoxyiminoindene-1,3-dione
SMILESCON=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C10H7NO3/c1-14-11-8-9(12)6-4-2-3-5-7(6)10(8)13/h2-5H,1H3
InChIKeyQRJTXUNKAYTDFO-UHFFFAOYSA-N
XLogP-0.10
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Phenyl-1,2-propanedione-2-oxime
CID 9566063
1,3-Indandione
CID 11815
1,2-Propanedione, 1-phenyl-, 2-oxime
CID 6399024
Indan-1,2,3-trione
CID 70309
2-(Dicyanomethylene)indan-1,3-dione
CID 542782
2-(Hydroxyimino)-2,3-dihydro-1H-inden-1-one
CID 6399489
(Z)-N-(1-oxo-1H-inden-2(3H)-ylidene)methanamine oxide
CID 660555
2-Diazo-1-indanone
CID 568424
(2E)-2-hydroxyimino-3H-inden-1-one
CID 6401247
2-(Hydroxyimino)-1H-indene-1,3(2H)-dione
CID 316190
2-Oximino-1-indanone
CID 6399038
Isonitrosopropiophenone, (Z)-
CID 6398977

Frequently Asked Questions

What is the IUPAC name of 2-methoxyiminoindene-1,3-dione?
The IUPAC name of 2-methoxyiminoindene-1,3-dione (CID 594173) is 2-methoxyiminoindene-1,3-dione.
What is the SMILES notation for 2-methoxyiminoindene-1,3-dione?
The canonical SMILES for 2-methoxyiminoindene-1,3-dione is CON=c1c(=O)c2ccccc2c1=O.
What is the InChIKey of 2-methoxyiminoindene-1,3-dione?
The InChIKey is QRJTXUNKAYTDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c1-14-11-8-9(12)6-4-2-3-5-7(6)10(8)13/h2-5H,1H3.
What are the key properties of 2-methoxyiminoindene-1,3-dione?
2-methoxyiminoindene-1,3-dione has a molecular weight of 189.17 g/mol, XLogP of -0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyiminoindene-1,3-dione is sourced from PubChem (CID 594173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).