(7E)-7-methoxyimino-4-methylchromene-2,8-dione

C11H9NO4 — CID 15249383

IUPAC(7E)-7-methoxyimino-4-methylchromene-2,8-dione
SMILESCO/N=C1\C=Cc2c(C)cc(=O)oc2C1=O
InChIInChI=1S/C11H9NO4/c1-6-5-9(13)16-11-7(6)3-4-8(10(11)14)12-15-2/h3-5H,1-2H3/b12-8+
InChIKeyFLQFGPVQMURDCO-XYOKQWHBSA-N
MW219.20 g/mol
LogP1.16
Rot. Bonds1

About (7E)-7-methoxyimino-4-methylchromene-2,8-dione

(7E)-7-methoxyimino-4-methylchromene-2,8-dione (PubChem CID 15249383) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is (7E)-7-methoxyimino-4-methylchromene-2,8-dione.

Molecular Properties

Compound Name(7E)-7-methoxyimino-4-methylchromene-2,8-dione
PubChem CID15249383
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name(7E)-7-methoxyimino-4-methylchromene-2,8-dione
SMILESCO/N=C1\C=Cc2c(C)cc(=O)oc2C1=O
InChIInChI=1S/C11H9NO4/c1-6-5-9(13)16-11-7(6)3-4-8(10(11)14)12-15-2/h3-5H,1-2H3/b12-8+
InChIKeyFLQFGPVQMURDCO-XYOKQWHBSA-N
XLogP1.16
TPSA68.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', '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 (7E)-7-methoxyimino-4-methylchromene-2,8-dione?
The IUPAC name of (7E)-7-methoxyimino-4-methylchromene-2,8-dione (CID 15249383) is (7E)-7-methoxyimino-4-methylchromene-2,8-dione.
What is the SMILES notation for (7E)-7-methoxyimino-4-methylchromene-2,8-dione?
The canonical SMILES for (7E)-7-methoxyimino-4-methylchromene-2,8-dione is CO/N=C1\C=Cc2c(C)cc(=O)oc2C1=O.
What is the InChIKey of (7E)-7-methoxyimino-4-methylchromene-2,8-dione?
The InChIKey is FLQFGPVQMURDCO-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H9NO4/c1-6-5-9(13)16-11-7(6)3-4-8(10(11)14)12-15-2/h3-5H,1-2H3/b12-8+.
What are the key properties of (7E)-7-methoxyimino-4-methylchromene-2,8-dione?
(7E)-7-methoxyimino-4-methylchromene-2,8-dione has a molecular weight of 219.20 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-methoxyimino-4-methylchromene-2,8-dione is sourced from PubChem (CID 15249383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).