(2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone

C21H18N2O2 — CID 7612621

IUPAC(2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone
SMILESC/C(=N/N=C(\C(=O)c1ccccc1)c1ccccc1)c1ccc(C)o1
InChIInChI=1S/C21H18N2O2/c1-15-13-14-19(25-15)16(2)22-23-20(17-9-5-3-6-10-17)21(24)18-11-7-4-8-12-18/h3-14H,1-2H3/b22-16-,23-20-
InChIKeyQGEYXZVJNBXURM-ZCLVMIFNSA-N
MW330.39 g/mol
LogP4.68
Rot. Bonds5

About (2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone

(2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 7612621) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID7612621
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name(2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone
SMILESC/C(=N/N=C(\C(=O)c1ccccc1)c1ccccc1)c1ccc(C)o1
InChIInChI=1S/C21H18N2O2/c1-15-13-14-19(25-15)16(2)22-23-20(17-9-5-3-6-10-17)21(24)18-11-7-4-8-12-18/h3-14H,1-2H3/b22-16-,23-20-
InChIKeyQGEYXZVJNBXURM-ZCLVMIFNSA-N
XLogP4.68
TPSA54.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone
CID 50932502
2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 3524909
(2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone
CID 6524389
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 126810323
N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide
CID 9074410
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]-2-phenylacetamide
CID 5013172
[(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
CID 126958888
2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate
CID 9074352
(2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 18207176
1-(5-methylfuran-2-yl)-2-phenylethanone
CID 4610358
(Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one
CID 10375022
2-(dimethylhydrazinylidene)-1,2-diphenylethanone
CID 73182544

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone (CID 7612621) is (2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone is C/C(=N/N=C(\C(=O)c1ccccc1)c1ccccc1)c1ccc(C)o1.
What is the InChIKey of (2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is QGEYXZVJNBXURM-ZCLVMIFNSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-15-13-14-19(25-15)16(2)22-23-20(17-9-5-3-6-10-17)21(24)18-11-7-4-8-12-18/h3-14H,1-2H3/b22-16-,23-20-.
What are the key properties of (2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
(2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 330.39 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 7612621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).