2-(3-chlorophenyl)-6-morpholin-4-ylpyran-4-one

C15H14ClNO3 — CID 86176198

IUPAC2-(3-chlorophenyl)-6-morpholin-4-ylpyran-4-one
SMILESO=c1cc(-c2cccc(Cl)c2)oc(N2CCOCC2)c1
InChIInChI=1S/C15H14ClNO3/c16-12-3-1-2-11(8-12)14-9-13(18)10-15(20-14)17-4-6-19-7-5-17/h1-3,8-10H,4-7H2
InChIKeyJWLSSGWRKQCHRM-UHFFFAOYSA-N
MW291.73 g/mol
LogP2.80
Rot. Bonds2

About 2-(3-chlorophenyl)-6-morpholin-4-ylpyran-4-one

2-(3-chlorophenyl)-6-morpholin-4-ylpyran-4-one (PubChem CID 86176198) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-morpholin-4-ylpyran-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-morpholin-4-ylpyran-4-one
PubChem CID86176198
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name2-(3-chlorophenyl)-6-morpholin-4-ylpyran-4-one
SMILESO=c1cc(-c2cccc(Cl)c2)oc(N2CCOCC2)c1
InChIInChI=1S/C15H14ClNO3/c16-12-3-1-2-11(8-12)14-9-13(18)10-15(20-14)17-4-6-19-7-5-17/h1-3,8-10H,4-7H2
InChIKeyJWLSSGWRKQCHRM-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-morpholin-4-ylpyran-4-one?
The IUPAC name of 2-(3-chlorophenyl)-6-morpholin-4-ylpyran-4-one (CID 86176198) is 2-(3-chlorophenyl)-6-morpholin-4-ylpyran-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-6-morpholin-4-ylpyran-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-6-morpholin-4-ylpyran-4-one is O=c1cc(-c2cccc(Cl)c2)oc(N2CCOCC2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-6-morpholin-4-ylpyran-4-one?
The InChIKey is JWLSSGWRKQCHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-12-3-1-2-11(8-12)14-9-13(18)10-15(20-14)17-4-6-19-7-5-17/h1-3,8-10H,4-7H2.
What are the key properties of 2-(3-chlorophenyl)-6-morpholin-4-ylpyran-4-one?
2-(3-chlorophenyl)-6-morpholin-4-ylpyran-4-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 2-(3-chlorophenyl)-6-morpholin-4-ylpyran-4-one is sourced from PubChem (CID 86176198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).