(1E)-1-[(2,4-dichlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one

C13H15Cl2N3O2 — CID 17388030

IUPAC(1E)-1-[(2,4-dichlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
SMILESCC(=O)/C(=N\Nc1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C13H15Cl2N3O2/c1-9(19)13(18-4-6-20-7-5-18)17-16-12-3-2-10(14)8-11(12)15/h2-3,8,16H,4-7H2,1H3/b17-13+
InChIKeyCHKPEWICZLWGGS-GHRIWEEISA-N
MW316.19 g/mol
LogP2.64
Rot. Bonds3

About (1E)-1-[(2,4-dichlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one

(1E)-1-[(2,4-dichlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one (PubChem CID 17388030) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is (1E)-1-[(2,4-dichlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one.

Molecular Properties

Compound Name(1E)-1-[(2,4-dichlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
PubChem CID17388030
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name(1E)-1-[(2,4-dichlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
SMILESCC(=O)/C(=N\Nc1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C13H15Cl2N3O2/c1-9(19)13(18-4-6-20-7-5-18)17-16-12-3-2-10(14)8-11(12)15/h2-3,8,16H,4-7H2,1H3/b17-13+
InChIKeyCHKPEWICZLWGGS-GHRIWEEISA-N
XLogP2.64
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.64
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

(1Z)-1-[(3-chloro-2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
CID 6537731
(1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
CID 5456303
N-(2,4-dichlorophenyl)ethanehydrazonoyl chloride
CID 72815031
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105994
(2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide
CID 7067086
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802162
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959913
N-(2,4-dichlorophenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082935
N-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide
CID 3065025
(1E)-1-[[(1R,6R)-2,6-dichlorocyclohexa-2,4-dien-1-yl]hydrazinylidene]-1-morpholin-4-ylpropan-2-one
CID 97465013
(2,4-dichlorophenyl) morpholine-4-carboxylate
CID 134989455
N-[2-(2,4-dichlorophenyl)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133340

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(2,4-dichlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one?
The IUPAC name of (1E)-1-[(2,4-dichlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one (CID 17388030) is (1E)-1-[(2,4-dichlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one.
What is the SMILES notation for (1E)-1-[(2,4-dichlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one?
The canonical SMILES for (1E)-1-[(2,4-dichlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one is CC(=O)/C(=N\Nc1ccc(Cl)cc1Cl)N1CCOCC1.
What is the InChIKey of (1E)-1-[(2,4-dichlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one?
The InChIKey is CHKPEWICZLWGGS-GHRIWEEISA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c1-9(19)13(18-4-6-20-7-5-18)17-16-12-3-2-10(14)8-11(12)15/h2-3,8,16H,4-7H2,1H3/b17-13+.
What are the key properties of (1E)-1-[(2,4-dichlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one?
(1E)-1-[(2,4-dichlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one has a molecular weight of 316.19 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(2,4-dichlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one is sourced from PubChem (CID 17388030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).