6-chloro-3-(morpholine-4-carbonyl)chromen-2-one

C14H12ClNO4 — CID 976955

IUPAC6-chloro-3-(morpholine-4-carbonyl)chromen-2-one
SMILESO=C(c1cc2cc(Cl)ccc2oc1=O)N1CCOCC1
InChIInChI=1S/C14H12ClNO4/c15-10-1-2-12-9(7-10)8-11(14(18)20-12)13(17)16-3-5-19-6-4-16/h1-2,7-8H,3-6H2
InChIKeyZZIPSNQSMMHFIR-UHFFFAOYSA-N
MW293.71 g/mol
LogP1.92
Rot. Bonds1

About 6-chloro-3-(morpholine-4-carbonyl)chromen-2-one

6-chloro-3-(morpholine-4-carbonyl)chromen-2-one (PubChem CID 976955) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 6-chloro-3-(morpholine-4-carbonyl)chromen-2-one.

Molecular Properties

Compound Name6-chloro-3-(morpholine-4-carbonyl)chromen-2-one
PubChem CID976955
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name6-chloro-3-(morpholine-4-carbonyl)chromen-2-one
SMILESO=C(c1cc2cc(Cl)ccc2oc1=O)N1CCOCC1
InChIInChI=1S/C14H12ClNO4/c15-10-1-2-12-9(7-10)8-11(14(18)20-12)13(17)16-3-5-19-6-4-16/h1-2,7-8H,3-6H2
InChIKeyZZIPSNQSMMHFIR-UHFFFAOYSA-N
XLogP1.92
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 51.92
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-chloro-3-(morpholine-4-carbonyl)chromen-2-one?
The IUPAC name of 6-chloro-3-(morpholine-4-carbonyl)chromen-2-one (CID 976955) is 6-chloro-3-(morpholine-4-carbonyl)chromen-2-one.
What is the SMILES notation for 6-chloro-3-(morpholine-4-carbonyl)chromen-2-one?
The canonical SMILES for 6-chloro-3-(morpholine-4-carbonyl)chromen-2-one is O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCOCC1.
What is the InChIKey of 6-chloro-3-(morpholine-4-carbonyl)chromen-2-one?
The InChIKey is ZZIPSNQSMMHFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c15-10-1-2-12-9(7-10)8-11(14(18)20-12)13(17)16-3-5-19-6-4-16/h1-2,7-8H,3-6H2.
What are the key properties of 6-chloro-3-(morpholine-4-carbonyl)chromen-2-one?
6-chloro-3-(morpholine-4-carbonyl)chromen-2-one has a molecular weight of 293.71 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(morpholine-4-carbonyl)chromen-2-one is sourced from PubChem (CID 976955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).