1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one

C13H16ClN3O2 — CID 1237107

IUPAC1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
SMILESCC(=O)C(=NNc1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C13H16ClN3O2/c1-10(18)13(17-5-7-19-8-6-17)16-15-12-4-2-3-11(14)9-12/h2-4,9,15H,5-8H2,1H3
InChIKeyROWXADOVDRCHNU-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.99
Rot. Bonds3

About 1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one

1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one (PubChem CID 1237107) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
PubChem CID1237107
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
SMILESCC(=O)C(=NNc1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C13H16ClN3O2/c1-10(18)13(17-5-7-19-8-6-17)16-15-12-4-2-3-11(14)9-12/h2-4,9,15H,5-8H2,1H3
InChIKeyROWXADOVDRCHNU-UHFFFAOYSA-N
XLogP1.99
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-morpholin-4-ylacetate
CID 5666258
ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-methylpiperazin-1-yl)acetate
CID 5666537
ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate
CID 6311719
ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-ethylpiperazin-1-yl)acetate
CID 6900182
1-[(3-Methylphenyl)hydrazono]-1-(4-morpholinyl)acetone
CID 56642821
1-[(2-Methylphenyl)hydrazono]-1-(4-morpholinyl)acetone
CID 56642853
ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-[cyclohexyl(methyl)amino]acetate
CID 6022673
2-[(2,5-Dichlorophenyl)hydrazono]-2-(2,6-dimethylmorpholino)acetic acid ethyl ester
CID 6268339
1-(4-Morpholinyl)-1-(phenylhydrazono)acetone
CID 5344337
ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(4-methylpiperazin-1-yl)acetate
CID 5665292
1-[(3-Chlorophenyl)hydrazono]-1-(4-morpholinyl)acetone
CID 56642880
(3Z)-3-[(2,5-dichlorophenyl)hydrazinylidene]-4-methylmorpholin-2-one
CID 5668656

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one?
The IUPAC name of 1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one (CID 1237107) is 1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one is CC(=O)C(=NNc1cccc(Cl)c1)N1CCOCC1.
What is the InChIKey of 1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one?
The InChIKey is ROWXADOVDRCHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-10(18)13(17-5-7-19-8-6-17)16-15-12-4-2-3-11(14)9-12/h2-4,9,15H,5-8H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one?
1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one has a molecular weight of 281.74 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one is sourced from PubChem (CID 1237107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).