(2,5-dioxopyrrolidin-1-yl) 6-chloro-8-fluoro-7-methoxy-2-oxochromene-3-carboxylate

C15H9ClFNO7 — CID 56591494

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-chloro-8-fluoro-7-methoxy-2-oxochromene-3-carboxylate
SMILESCOc1c(Cl)cc2cc(C(=O)ON3C(=O)CCC3=O)c(=O)oc2c1F
InChIInChI=1S/C15H9ClFNO7/c1-23-13-8(16)5-6-4-7(14(21)24-12(6)11(13)17)15(22)25-18-9(19)2-3-10(18)20/h4-5H,2-3H2,1H3
InChIKeyDZTAQSYGWQQXTG-UHFFFAOYSA-N
MW369.69 g/mol
LogP1.81
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) 6-chloro-8-fluoro-7-methoxy-2-oxochromene-3-carboxylate

(2,5-dioxopyrrolidin-1-yl) 6-chloro-8-fluoro-7-methoxy-2-oxochromene-3-carboxylate (PubChem CID 56591494) has the molecular formula C15H9ClFNO7 and a molecular weight of 369.69 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-chloro-8-fluoro-7-methoxy-2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-chloro-8-fluoro-7-methoxy-2-oxochromene-3-carboxylate
PubChem CID56591494
Molecular FormulaC15H9ClFNO7
Molecular Weight369.69 g/mol
Exact Mass369.01
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-chloro-8-fluoro-7-methoxy-2-oxochromene-3-carboxylate
SMILESCOc1c(Cl)cc2cc(C(=O)ON3C(=O)CCC3=O)c(=O)oc2c1F
InChIInChI=1S/C15H9ClFNO7/c1-23-13-8(16)5-6-4-7(14(21)24-12(6)11(13)17)15(22)25-18-9(19)2-3-10(18)20/h4-5H,2-3H2,1H3
InChIKeyDZTAQSYGWQQXTG-UHFFFAOYSA-N
XLogP1.81
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.69
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-chloro-8-fluoro-7-methoxy-2-oxochromene-3-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-chloro-8-fluoro-7-methoxy-2-oxochromene-3-carboxylate (CID 56591494) is (2,5-dioxopyrrolidin-1-yl) 6-chloro-8-fluoro-7-methoxy-2-oxochromene-3-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-chloro-8-fluoro-7-methoxy-2-oxochromene-3-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-chloro-8-fluoro-7-methoxy-2-oxochromene-3-carboxylate is COc1c(Cl)cc2cc(C(=O)ON3C(=O)CCC3=O)c(=O)oc2c1F.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-chloro-8-fluoro-7-methoxy-2-oxochromene-3-carboxylate?
The InChIKey is DZTAQSYGWQQXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO7/c1-23-13-8(16)5-6-4-7(14(21)24-12(6)11(13)17)15(22)25-18-9(19)2-3-10(18)20/h4-5H,2-3H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-chloro-8-fluoro-7-methoxy-2-oxochromene-3-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 6-chloro-8-fluoro-7-methoxy-2-oxochromene-3-carboxylate has a molecular weight of 369.69 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-chloro-8-fluoro-7-methoxy-2-oxochromene-3-carboxylate is sourced from PubChem (CID 56591494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).