(1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride

C14H20ClN3O2 — CID 56642821

IUPAC(1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride
SMILESCC(=O)/C(=N/Nc1cccc(C)c1)N1CCOCC1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-11-4-3-5-13(10-11)15-16-14(12(2)18)17-6-8-19-9-7-17;/h3-5,10,15H,6-9H2,1-2H3;1H/b16-14-;
InChIKeyMWLGOFRUOHCLRR-ULQCMBKMSA-N
MW297.79 g/mol
LogP2.06
Rot. Bonds3

About (1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride

(1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride (PubChem CID 56642821) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is (1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride.

Molecular Properties

Compound Name(1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride
PubChem CID56642821
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name(1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride
SMILESCC(=O)/C(=N/Nc1cccc(C)c1)N1CCOCC1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-11-4-3-5-13(10-11)15-16-14(12(2)18)17-6-8-19-9-7-17;/h3-5,10,15H,6-9H2,1-2H3;1H/b16-14-;
InChIKeyMWLGOFRUOHCLRR-ULQCMBKMSA-N
XLogP2.06
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.06
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
1-[(4-Methylphenyl)hydrazono]-1-(4-morpholinyl)acetone
CID 5337438
3-Imino-3-morpholin-4-yl-2-(p-tolyl-hydrazono)-propionitrile
CID 6401287
1-[(2-Methylphenyl)hydrazono]-1-(4-morpholinyl)acetone
CID 56642853
1-(4-Morpholinyl)-1-(phenylhydrazono)acetone
CID 5344337
ethyl (2E)-2-[bis(2-methoxyethyl)amino]-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 6112752
(1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one
CID 5410497
ethyl (2E)-2-pyrrolidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 5665301
ethyl (2E)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 5911840
Cambridge id 5928581
CID 5727875
1-[(2-Methylphenyl)hydrazinylidene]-1-(4-morpholinyl)-2-propanone
CID 1237106
1-[(3-Chlorophenyl)hydrazinylidene]-1-(4-morpholinyl)-2-propanone
CID 1237107

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride?
The IUPAC name of (1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride (CID 56642821) is (1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride.
What is the SMILES notation for (1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride?
The canonical SMILES for (1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride is CC(=O)/C(=N/Nc1cccc(C)c1)N1CCOCC1.Cl.
What is the InChIKey of (1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride?
The InChIKey is MWLGOFRUOHCLRR-ULQCMBKMSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-11-4-3-5-13(10-11)15-16-14(12(2)18)17-6-8-19-9-7-17;/h3-5,10,15H,6-9H2,1-2H3;1H/b16-14-;.
What are the key properties of (1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride?
(1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(3-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride is sourced from PubChem (CID 56642821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).