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

C13H17Cl2N3O2 — CID 56642880

IUPAC(1Z)-1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride
SMILESCC(=O)/C(=N/Nc1cccc(Cl)c1)N1CCOCC1.Cl
InChIInChI=1S/C13H16ClN3O2.ClH/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;1H/b16-13-;
InChIKeyLCEKMYCWKGBIKW-UNVLYCKESA-N
MW318.20 g/mol
LogP2.41
Rot. Bonds3

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

(1Z)-1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride (PubChem CID 56642880) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is (1Z)-1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride.

Molecular Properties

Compound Name(1Z)-1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride
PubChem CID56642880
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC Name(1Z)-1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride
SMILESCC(=O)/C(=N/Nc1cccc(Cl)c1)N1CCOCC1.Cl
InChIInChI=1S/C13H16ClN3O2.ClH/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;1H/b16-13-;
InChIKeyLCEKMYCWKGBIKW-UNVLYCKESA-N
XLogP2.41
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride?
The IUPAC name of (1Z)-1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride (CID 56642880) is (1Z)-1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride.
What is the SMILES notation for (1Z)-1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride?
The canonical SMILES for (1Z)-1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride is CC(=O)/C(=N/Nc1cccc(Cl)c1)N1CCOCC1.Cl.
What is the InChIKey of (1Z)-1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride?
The InChIKey is LCEKMYCWKGBIKW-UNVLYCKESA-N. The full InChI is InChI=1S/C13H16ClN3O2.ClH/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;1H/b16-13-;.
What are the key properties of (1Z)-1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride?
(1Z)-1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride has a molecular weight of 318.20 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one;hydrochloride is sourced from PubChem (CID 56642880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).