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

C14H19N3O2 — CID 1237106

IUPAC1-[(2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
SMILESCC(=O)C(=NNc1ccccc1C)N1CCOCC1
InChIInChI=1S/C14H19N3O2/c1-11-5-3-4-6-13(11)15-16-14(12(2)18)17-7-9-19-10-8-17/h3-6,15H,7-10H2,1-2H3
InChIKeyLYJVIKGETNIJGO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.64
Rot. Bonds3

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

1-[(2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one (PubChem CID 1237106) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[(2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-[(2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
PubChem CID1237106
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[(2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
SMILESCC(=O)C(=NNc1ccccc1C)N1CCOCC1
InChIInChI=1S/C14H19N3O2/c1-11-5-3-4-6-13(11)15-16-14(12(2)18)17-7-9-19-10-8-17/h3-6,15H,7-10H2,1-2H3
InChIKeyLYJVIKGETNIJGO-UHFFFAOYSA-N
XLogP1.64
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.64
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

2-Morpholino-2-[[3-(trifluoromethyl)phenyl]hydrazono]acetic acid ethyl ester
CID 5665016
ethyl (2Z)-3,4-dihydroquinolin-1(2H)-yl(2-phenylhydrazinylidene)ethanoate
CID 6506639
1-[(4-Methylphenyl)hydrazono]-1-(4-morpholinyl)acetone
CID 5337438
3-Imino-3-morpholin-4-yl-2-(p-tolyl-hydrazono)-propionitrile
CID 6401287
1-[(3-Methylphenyl)hydrazono]-1-(4-morpholinyl)acetone
CID 56642821
1-[(2-Methylphenyl)hydrazono]-1-(4-morpholinyl)acetone
CID 56642853
1-(4-Morpholinyl)-1-(phenylhydrazono)acetone
CID 5344337
(1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one
CID 5410497
ethyl (2E)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 5911840
(2E)-3-imino-3-(morpholin-4-yl)-2-{2-[2-(trifluoromethyl)phenyl]hydrazinylidene}propanenitrile
CID 6401031
Cambridge id 5928581
CID 5727875
CID 2308619
CID 2308619

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one?
The IUPAC name of 1-[(2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one (CID 1237106) is 1-[(2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one.
What is the SMILES notation for 1-[(2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one?
The canonical SMILES for 1-[(2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one is CC(=O)C(=NNc1ccccc1C)N1CCOCC1.
What is the InChIKey of 1-[(2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one?
The InChIKey is LYJVIKGETNIJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11-5-3-4-6-13(11)15-16-14(12(2)18)17-7-9-19-10-8-17/h3-6,15H,7-10H2,1-2H3.
What are the key properties of 1-[(2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one?
1-[(2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one is sourced from PubChem (CID 1237106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).