5,6-bis(4-chlorophenyl)morpholin-3-one;(3Z,5Z)-5-methylhepta-1,3,5-triene

C24H25Cl2NO2 — CID 144688158

IUPAC5,6-bis(4-chlorophenyl)morpholin-3-one;(3Z,5Z)-5-methylhepta-1,3,5-triene
SMILESC=C/C=C\C(C)=C/C.O=C1COC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C16H13Cl2NO2.C8H12/c17-12-5-1-10(2-6-12)15-16(21-9-14(20)19-15)11-3-7-13(18)8-4-11;1-4-6-7-8(3)5-2/h1-8,15-16H,9H2,(H,19,20);4-7H,1H2,2-3H3/b;7-6-,8-5-
InChIKeyRZVSOQSARZOCFM-JLMZEHOHSA-N
MW430.38 g/mol
LogP6.62
Rot. Bonds4

About 5,6-bis(4-chlorophenyl)morpholin-3-one;(3Z,5Z)-5-methylhepta-1,3,5-triene

5,6-bis(4-chlorophenyl)morpholin-3-one;(3Z,5Z)-5-methylhepta-1,3,5-triene (PubChem CID 144688158) has the molecular formula C24H25Cl2NO2 and a molecular weight of 430.38 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)morpholin-3-one;(3Z,5Z)-5-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)morpholin-3-one;(3Z,5Z)-5-methylhepta-1,3,5-triene
PubChem CID144688158
Molecular FormulaC24H25Cl2NO2
Molecular Weight430.38 g/mol
Exact Mass429.13
IUPAC Name5,6-bis(4-chlorophenyl)morpholin-3-one;(3Z,5Z)-5-methylhepta-1,3,5-triene
SMILESC=C/C=C\C(C)=C/C.O=C1COC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C16H13Cl2NO2.C8H12/c17-12-5-1-10(2-6-12)15-16(21-9-14(20)19-15)11-3-7-13(18)8-4-11;1-4-6-7-8(3)5-2/h1-8,15-16H,9H2,(H,19,20);4-7H,1H2,2-3H3/b;7-6-,8-5-
InChIKeyRZVSOQSARZOCFM-JLMZEHOHSA-N
XLogP6.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,6-bis(4-chlorophenyl)morpholin-3-one;(3Z,5Z)-5-methylhepta-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-bis(4-chlorophenyl)piperazin-2-one
CID 78034573
5,6-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]morpholin-3-one
CID 123178762
(2R,3R)-N-(4-bromophenyl)sulfonyl-3-(4-chlorophenyl)-5-oxomorpholine-2-carboxamide
CID 110166865
6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclobutylmethyl)morpholin-3-one;prop-1-ene
CID 144688353
(2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]morpholin-3-one
CID 90372005
(2S)-2-(4-chlorophenyl)-3-ethenyloxirane
CID 101260589
4-(4-chlorophenyl)piperidine;ethane
CID 143751340
(6S)-5-(4-fluoro-3-phosphanylphenyl)-6-methylmorpholin-3-one
CID 142000827
acetic acid;(2S,3R)-N-(4-aminobutyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 154918670
(5R,6S)-6-[2-(2-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-5-phenylmorpholin-3-one
CID 163305596
(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane
CID 71365494
1-[(2R,3S)-3-(4-chlorophenyl)oxiran-2-yl]ethanone
CID 101197056

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)morpholin-3-one;(3Z,5Z)-5-methylhepta-1,3,5-triene?
The IUPAC name of 5,6-bis(4-chlorophenyl)morpholin-3-one;(3Z,5Z)-5-methylhepta-1,3,5-triene (CID 144688158) is 5,6-bis(4-chlorophenyl)morpholin-3-one;(3Z,5Z)-5-methylhepta-1,3,5-triene.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)morpholin-3-one;(3Z,5Z)-5-methylhepta-1,3,5-triene?
The canonical SMILES for 5,6-bis(4-chlorophenyl)morpholin-3-one;(3Z,5Z)-5-methylhepta-1,3,5-triene is C=C/C=C\C(C)=C/C.O=C1COC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1.
What is the InChIKey of 5,6-bis(4-chlorophenyl)morpholin-3-one;(3Z,5Z)-5-methylhepta-1,3,5-triene?
The InChIKey is RZVSOQSARZOCFM-JLMZEHOHSA-N. The full InChI is InChI=1S/C16H13Cl2NO2.C8H12/c17-12-5-1-10(2-6-12)15-16(21-9-14(20)19-15)11-3-7-13(18)8-4-11;1-4-6-7-8(3)5-2/h1-8,15-16H,9H2,(H,19,20);4-7H,1H2,2-3H3/b;7-6-,8-5-.
What are the key properties of 5,6-bis(4-chlorophenyl)morpholin-3-one;(3Z,5Z)-5-methylhepta-1,3,5-triene?
5,6-bis(4-chlorophenyl)morpholin-3-one;(3Z,5Z)-5-methylhepta-1,3,5-triene has a molecular weight of 430.38 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-chlorophenyl)morpholin-3-one;(3Z,5Z)-5-methylhepta-1,3,5-triene is sourced from PubChem (CID 144688158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).