(1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one

C13H17N3O2 — CID 5410497

IUPAC(1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one
SMILESCC(=O)/C(=N\Nc1ccccc1)N1CCOCC1
InChIInChI=1S/C13H17N3O2/c1-11(17)13(16-7-9-18-10-8-16)15-14-12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3/b15-13+
InChIKeyGHDJXVBWCCHMGU-FYWRMAATSA-N
MW247.30 g/mol
LogP1.33
Rot. Bonds3

About (1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one

(1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one (PubChem CID 5410497) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one.

Molecular Properties

Compound Name(1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one
PubChem CID5410497
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one
SMILESCC(=O)/C(=N\Nc1ccccc1)N1CCOCC1
InChIInChI=1S/C13H17N3O2/c1-11(17)13(16-7-9-18-10-8-16)15-14-12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3/b15-13+
InChIKeyGHDJXVBWCCHMGU-FYWRMAATSA-N
XLogP1.33
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.33
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

1-[(4-Methylphenyl)hydrazono]-1-(4-morpholinyl)acetone
CID 5337438
ethyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate
CID 6024677
ethyl (2E)-2-[(2-chlorophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate
CID 6311719
ethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate
CID 6379996
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
ethyl (2E)-2-(aziridin-1-yl)-2-(phenylhydrazinylidene)acetate
CID 5665987
(2E)-3-imino-3-morpholin-4-yl-2-(phenylhydrazono)propanenitrile
CID 6401038
2-[(2-Fluorophenyl)hydrazono]-3-imino-3-(4-morpholinyl)propanenitrile
CID 6419199
1-[(3-Chlorophenyl)hydrazono]-1-(4-morpholinyl)acetone
CID 56642880
Cambridge id 5928581
CID 5727875

Frequently Asked Questions

What is the IUPAC name of (1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one?
The IUPAC name of (1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one (CID 5410497) is (1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one.
What is the SMILES notation for (1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one?
The canonical SMILES for (1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one is CC(=O)/C(=N\Nc1ccccc1)N1CCOCC1.
What is the InChIKey of (1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one?
The InChIKey is GHDJXVBWCCHMGU-FYWRMAATSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-11(17)13(16-7-9-18-10-8-16)15-14-12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3/b15-13+.
What are the key properties of (1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one?
(1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-morpholin-4-yl-1-(phenylhydrazinylidene)propan-2-one is sourced from PubChem (CID 5410497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).