3-(benzoylhydrazinylidene)-1-phenylbut-1-en-1-olate

C17H15N2O2- — CID 54720106

IUPAC3-(benzoylhydrazinylidene)-1-phenylbut-1-en-1-olate
SMILESCC(C=C([O-])c1ccccc1)=NNC(=O)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13(12-16(20)14-8-4-2-5-9-14)18-19-17(21)15-10-6-3-7-11-15/h2-12,20H,1H3,(H,19,21)/p-1
InChIKeyHWORBCQUNOUVNT-UHFFFAOYSA-M
MW279.32 g/mol
LogP2.19
Rot. Bonds4

About 3-(benzoylhydrazinylidene)-1-phenylbut-1-en-1-olate

3-(benzoylhydrazinylidene)-1-phenylbut-1-en-1-olate (PubChem CID 54720106) has the molecular formula C17H15N2O2- and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-(benzoylhydrazinylidene)-1-phenylbut-1-en-1-olate.

Molecular Properties

Compound Name3-(benzoylhydrazinylidene)-1-phenylbut-1-en-1-olate
PubChem CID54720106
Molecular FormulaC17H15N2O2-
Molecular Weight279.32 g/mol
Exact Mass279.11
IUPAC Name3-(benzoylhydrazinylidene)-1-phenylbut-1-en-1-olate
SMILESCC(C=C([O-])c1ccccc1)=NNC(=O)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13(12-16(20)14-8-4-2-5-9-14)18-19-17(21)15-10-6-3-7-11-15/h2-12,20H,1H3,(H,19,21)/p-1
InChIKeyHWORBCQUNOUVNT-UHFFFAOYSA-M
XLogP2.19
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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

N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide
CID 6322956
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
N-[(E)-1,1,1-trideuteriopropan-2-ylideneamino]benzamide
CID 175869908
gallium tris(3-oxo-1-phenylbut-1-en-1-olate)
CID 73160345
sodium (Z)-3-oxo-1-phenylbut-1-en-1-olate
CID 23681715
N-[(E)-1-chloropropan-2-ylideneamino]benzamide
CID 5380278
N-(pentan-3-ylideneamino)benzamide
CID 4611553
N-[(E)-(1-bromo-1,1-difluoropropan-2-ylidene)amino]benzamide
CID 167523986
N-[(E)-[(3E)-3-(benzoylhydrazinylidene)butan-2-ylidene]amino]-4-chlorobenzamide
CID 11068273
N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide
CID 54785289
N-[(4-amino-4-oxobutan-2-ylidene)amino]benzamide
CID 3434794
N-(diaminomethylideneamino)benzamide;hydrochloride
CID 156587607

Frequently Asked Questions

What is the IUPAC name of 3-(benzoylhydrazinylidene)-1-phenylbut-1-en-1-olate?
The IUPAC name of 3-(benzoylhydrazinylidene)-1-phenylbut-1-en-1-olate (CID 54720106) is 3-(benzoylhydrazinylidene)-1-phenylbut-1-en-1-olate.
What is the SMILES notation for 3-(benzoylhydrazinylidene)-1-phenylbut-1-en-1-olate?
The canonical SMILES for 3-(benzoylhydrazinylidene)-1-phenylbut-1-en-1-olate is CC(C=C([O-])c1ccccc1)=NNC(=O)c1ccccc1.
What is the InChIKey of 3-(benzoylhydrazinylidene)-1-phenylbut-1-en-1-olate?
The InChIKey is HWORBCQUNOUVNT-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H16N2O2/c1-13(12-16(20)14-8-4-2-5-9-14)18-19-17(21)15-10-6-3-7-11-15/h2-12,20H,1H3,(H,19,21)/p-1.
What are the key properties of 3-(benzoylhydrazinylidene)-1-phenylbut-1-en-1-olate?
3-(benzoylhydrazinylidene)-1-phenylbut-1-en-1-olate has a molecular weight of 279.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzoylhydrazinylidene)-1-phenylbut-1-en-1-olate is sourced from PubChem (CID 54720106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).