(NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine

C15H12BrNO — CID 102079705

IUPAC(NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine
SMILESO/N=C(/C=C/c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO/c16-14-9-7-13(8-10-14)15(17-18)11-6-12-4-2-1-3-5-12/h1-11,18H/b11-6+,17-15-
InChIKeyXHEFCVJWBNKSIW-OKNZWECESA-N
MW302.17 g/mol
LogP4.34
Rot. Bonds3

About (NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine

(NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine (PubChem CID 102079705) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is (NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine
PubChem CID102079705
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name(NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine
SMILESO/N=C(/C=C/c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO/c16-14-9-7-13(8-10-14)15(17-18)11-6-12-4-2-1-3-5-12/h1-11,18H/b11-6+,17-15-
InChIKeyXHEFCVJWBNKSIW-OKNZWECESA-N
XLogP4.34
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine
CID 11121251
N-[(E)-1-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enylidene]hydroxylamine
CID 173488881
methane;N-methyl-1,3-diphenylprop-2-en-1-imine
CID 159060936
(NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine
CID 102334579
4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6948702
4-bromo-N-(4-phenylbut-3-en-2-ylideneamino)benzamide
CID 834129
(NE)-N-[(E)-3-phenyl-1-(3-phenyloxiren-2-yl)prop-2-enylidene]hydroxylamine
CID 141245477
(E)-N-[(E)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]-3-phenylprop-2-enamide
CID 146305595
2-(4-bromophenyl)-N-[(E)-N-hydroxy-C-[(E)-2-phenylethenyl]carbonimidoyl]acetamide
CID 142315983
(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
CID 6738838
(Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride
CID 90280186
(4-bromophenyl) 3-phenylprop-2-enoate
CID 759220

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine (CID 102079705) is (NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine is O/N=C(/C=C/c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of (NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine?
The InChIKey is XHEFCVJWBNKSIW-OKNZWECESA-N. The full InChI is InChI=1S/C15H12BrNO/c16-14-9-7-13(8-10-14)15(17-18)11-6-12-4-2-1-3-5-12/h1-11,18H/b11-6+,17-15-.
What are the key properties of (NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine?
(NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine has a molecular weight of 302.17 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine is sourced from PubChem (CID 102079705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).