6,8-dibromo-3-(morpholine-4-carbonyl)chromen-2-one

C14H11Br2NO4 — CID 1108245

IUPAC6,8-dibromo-3-(morpholine-4-carbonyl)chromen-2-one
SMILESO=C(c1cc2cc(Br)cc(Br)c2oc1=O)N1CCOCC1
InChIInChI=1S/C14H11Br2NO4/c15-9-5-8-6-10(13(18)17-1-3-20-4-2-17)14(19)21-12(8)11(16)7-9/h5-7H,1-4H2
InChIKeyZKFRUGODYJXHKL-UHFFFAOYSA-N
MW417.05 g/mol
LogP2.79
Rot. Bonds1

About 6,8-dibromo-3-(morpholine-4-carbonyl)chromen-2-one

6,8-dibromo-3-(morpholine-4-carbonyl)chromen-2-one (PubChem CID 1108245) has the molecular formula C14H11Br2NO4 and a molecular weight of 417.05 g/mol. Its IUPAC name is 6,8-dibromo-3-(morpholine-4-carbonyl)chromen-2-one.

Molecular Properties

Compound Name6,8-dibromo-3-(morpholine-4-carbonyl)chromen-2-one
PubChem CID1108245
Molecular FormulaC14H11Br2NO4
Molecular Weight417.05 g/mol
Exact Mass414.91
IUPAC Name6,8-dibromo-3-(morpholine-4-carbonyl)chromen-2-one
SMILESO=C(c1cc2cc(Br)cc(Br)c2oc1=O)N1CCOCC1
InChIInChI=1S/C14H11Br2NO4/c15-9-5-8-6-10(13(18)17-1-3-20-4-2-17)14(19)21-12(8)11(16)7-9/h5-7H,1-4H2
InChIKeyZKFRUGODYJXHKL-UHFFFAOYSA-N
XLogP2.79
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.05
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-3-(morpholine-4-carbonyl)chromen-2-one?
The IUPAC name of 6,8-dibromo-3-(morpholine-4-carbonyl)chromen-2-one (CID 1108245) is 6,8-dibromo-3-(morpholine-4-carbonyl)chromen-2-one.
What is the SMILES notation for 6,8-dibromo-3-(morpholine-4-carbonyl)chromen-2-one?
The canonical SMILES for 6,8-dibromo-3-(morpholine-4-carbonyl)chromen-2-one is O=C(c1cc2cc(Br)cc(Br)c2oc1=O)N1CCOCC1.
What is the InChIKey of 6,8-dibromo-3-(morpholine-4-carbonyl)chromen-2-one?
The InChIKey is ZKFRUGODYJXHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO4/c15-9-5-8-6-10(13(18)17-1-3-20-4-2-17)14(19)21-12(8)11(16)7-9/h5-7H,1-4H2.
What are the key properties of 6,8-dibromo-3-(morpholine-4-carbonyl)chromen-2-one?
6,8-dibromo-3-(morpholine-4-carbonyl)chromen-2-one has a molecular weight of 417.05 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-3-(morpholine-4-carbonyl)chromen-2-one is sourced from PubChem (CID 1108245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).