1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-dione

C17H14N2O3 — CID 53420150

IUPAC1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-dione
SMILESCON=C1CCc2cc(C(=O)C(=O)c3ccncc3)ccc21
InChIInChI=1S/C17H14N2O3/c1-22-19-15-5-3-12-10-13(2-4-14(12)15)17(21)16(20)11-6-8-18-9-7-11/h2,4,6-10H,3,5H2,1H3
InChIKeyGUPVAYODPWPSIM-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.44
Rot. Bonds4

About 1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-dione

1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-dione (PubChem CID 53420150) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-dione
PubChem CID53420150
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-dione
SMILESCON=C1CCc2cc(C(=O)C(=O)c3ccncc3)ccc21
InChIInChI=1S/C17H14N2O3/c1-22-19-15-5-3-12-10-13(2-4-14(12)15)17(21)16(20)11-6-8-18-9-7-11/h2,4,6-10H,3,5H2,1H3
InChIKeyGUPVAYODPWPSIM-UHFFFAOYSA-N
XLogP2.44
TPSA68.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_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-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-dione?
The IUPAC name of 1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-dione (CID 53420150) is 1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-dione?
The canonical SMILES for 1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-dione is CON=C1CCc2cc(C(=O)C(=O)c3ccncc3)ccc21.
What is the InChIKey of 1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-dione?
The InChIKey is GUPVAYODPWPSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-19-15-5-3-12-10-13(2-4-14(12)15)17(21)16(20)11-6-8-18-9-7-11/h2,4,6-10H,3,5H2,1H3.
What are the key properties of 1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-dione?
1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-dione has a molecular weight of 294.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-dione is sourced from PubChem (CID 53420150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).