6-(4-chlorophenyl)-4-morpholin-4-ylpyran-2-one

C15H14ClNO3 — CID 21106425

IUPAC6-(4-chlorophenyl)-4-morpholin-4-ylpyran-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H14ClNO3/c16-12-3-1-11(2-4-12)14-9-13(10-15(18)20-14)17-5-7-19-8-6-17/h1-4,9-10H,5-8H2
InChIKeyQAPAFHWHAZOAOB-UHFFFAOYSA-N
MW291.73 g/mol
LogP2.80
Rot. Bonds2

About 6-(4-chlorophenyl)-4-morpholin-4-ylpyran-2-one

6-(4-chlorophenyl)-4-morpholin-4-ylpyran-2-one (PubChem CID 21106425) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-morpholin-4-ylpyran-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-morpholin-4-ylpyran-2-one
PubChem CID21106425
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name6-(4-chlorophenyl)-4-morpholin-4-ylpyran-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H14ClNO3/c16-12-3-1-11(2-4-12)14-9-13(10-15(18)20-14)17-5-7-19-8-6-17/h1-4,9-10H,5-8H2
InChIKeyQAPAFHWHAZOAOB-UHFFFAOYSA-N
XLogP2.80
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-6-morpholino-4H-pyran-4-one
CID 10062895
4-morpholino-6-phenyl-2H-pyran-2-one
CID 21106428
3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)-2H-pyran-2-one
CID 2805936
6-(4-Chlorophenyl)-3-methyl-2-morpholin-4-yl-pyran-4-one
CID 16203581
2-(4-chlorophenyl)-4-(4-morpholinylmethylene)-1,3-oxazol-5(4H)-one
CID 1713797
6-(4-Methylphenyl)-4-morpholin-4-ylpyran-2-one
CID 85566259
6-(4-Chlorophenyl)-4-piperidin-1-ylpyran-2-one
CID 85566267
6-(4-Chlorophenyl)-4-(dimethylamino)pyran-2-one
CID 85566270
6-(4-Chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
CID 11045270
2-(2-Chlorophenyl)-6-morpholin-4-ylpyran-4-one
CID 86176197
2-(3-Chlorophenyl)-6-morpholin-4-ylpyran-4-one
CID 86176198
6-(4-chlorophenyl)-5-methyl-4-(4-morpholinyl)-2-oxo-2H-pyran-3-carbonitrile
CID 123132209

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-morpholin-4-ylpyran-2-one?
The IUPAC name of 6-(4-chlorophenyl)-4-morpholin-4-ylpyran-2-one (CID 21106425) is 6-(4-chlorophenyl)-4-morpholin-4-ylpyran-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-4-morpholin-4-ylpyran-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-4-morpholin-4-ylpyran-2-one is O=c1cc(N2CCOCC2)cc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 6-(4-chlorophenyl)-4-morpholin-4-ylpyran-2-one?
The InChIKey is QAPAFHWHAZOAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-12-3-1-11(2-4-12)14-9-13(10-15(18)20-14)17-5-7-19-8-6-17/h1-4,9-10H,5-8H2.
What are the key properties of 6-(4-chlorophenyl)-4-morpholin-4-ylpyran-2-one?
6-(4-chlorophenyl)-4-morpholin-4-ylpyran-2-one has a molecular weight of 291.73 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-morpholin-4-ylpyran-2-one is sourced from PubChem (CID 21106425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).