6-chloro-4-morpholin-4-ylchromen-2-one

C13H12ClNO3 — CID 11459783

IUPAC6-chloro-4-morpholin-4-ylchromen-2-one
SMILESO=c1cc(N2CCOCC2)c2cc(Cl)ccc2o1
InChIInChI=1S/C13H12ClNO3/c14-9-1-2-12-10(7-9)11(8-13(16)18-12)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2
InChIKeyIKOYKMNERRYCAN-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.28
Rot. Bonds1

About 6-chloro-4-morpholin-4-ylchromen-2-one

6-chloro-4-morpholin-4-ylchromen-2-one (PubChem CID 11459783) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 6-chloro-4-morpholin-4-ylchromen-2-one.

Molecular Properties

Compound Name6-chloro-4-morpholin-4-ylchromen-2-one
PubChem CID11459783
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name6-chloro-4-morpholin-4-ylchromen-2-one
SMILESO=c1cc(N2CCOCC2)c2cc(Cl)ccc2o1
InChIInChI=1S/C13H12ClNO3/c14-9-1-2-12-10(7-9)11(8-13(16)18-12)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2
InChIKeyIKOYKMNERRYCAN-UHFFFAOYSA-N
XLogP2.28
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.28
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-4-morpholin-4-ylchromen-2-one?
The IUPAC name of 6-chloro-4-morpholin-4-ylchromen-2-one (CID 11459783) is 6-chloro-4-morpholin-4-ylchromen-2-one.
What is the SMILES notation for 6-chloro-4-morpholin-4-ylchromen-2-one?
The canonical SMILES for 6-chloro-4-morpholin-4-ylchromen-2-one is O=c1cc(N2CCOCC2)c2cc(Cl)ccc2o1.
What is the InChIKey of 6-chloro-4-morpholin-4-ylchromen-2-one?
The InChIKey is IKOYKMNERRYCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c14-9-1-2-12-10(7-9)11(8-13(16)18-12)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2.
What are the key properties of 6-chloro-4-morpholin-4-ylchromen-2-one?
6-chloro-4-morpholin-4-ylchromen-2-one has a molecular weight of 265.70 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-morpholin-4-ylchromen-2-one is sourced from PubChem (CID 11459783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).