2-[(2-bromo-3-phenylprop-2-enylidene)amino]guanidine

C10H11BrN4 — CID 2858290

IUPAC2-[(2-bromo-3-phenylprop-2-enylidene)amino]guanidine
SMILESNC(N)=NN=CC(Br)=Cc1ccccc1
InChIInChI=1S/C10H11BrN4/c11-9(7-14-15-10(12)13)6-8-4-2-1-3-5-8/h1-7H,(H4,12,13,15)
InChIKeyKRIUQXTZAHCMAP-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.68
Rot. Bonds3

About 2-[(2-bromo-3-phenylprop-2-enylidene)amino]guanidine

2-[(2-bromo-3-phenylprop-2-enylidene)amino]guanidine (PubChem CID 2858290) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-[(2-bromo-3-phenylprop-2-enylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(2-bromo-3-phenylprop-2-enylidene)amino]guanidine
PubChem CID2858290
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name2-[(2-bromo-3-phenylprop-2-enylidene)amino]guanidine
SMILESNC(N)=NN=CC(Br)=Cc1ccccc1
InChIInChI=1S/C10H11BrN4/c11-9(7-14-15-10(12)13)6-8-4-2-1-3-5-8/h1-7H,(H4,12,13,15)
InChIKeyKRIUQXTZAHCMAP-UHFFFAOYSA-N
XLogP1.68
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
(E)-2-bromo-3-phenyl-N-(4-phenylphenyl)prop-2-en-1-imine
CID 21177366
N,N'-bis[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-N,N'-dimethylethane-1,2-diamine
CID 92842583
(E,E)-2-bromo-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
CID 5342562
2,2-dibromo(113C)ethenylbenzene
CID 131856077
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
CID 5333947
1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 123764142
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide
CID 5407602
2-[(E)-[(Z)-3-chloro-2-methyl-3-phenylprop-2-enylidene]amino]guanidine
CID 25147765
2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one
CID 66616036
2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880611
1-[3-[[(E)-2-bromo-3-phenylprop-2-enylidene]amino]phenyl]ethanone
CID 21177369

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-phenylprop-2-enylidene)amino]guanidine?
The IUPAC name of 2-[(2-bromo-3-phenylprop-2-enylidene)amino]guanidine (CID 2858290) is 2-[(2-bromo-3-phenylprop-2-enylidene)amino]guanidine.
What is the SMILES notation for 2-[(2-bromo-3-phenylprop-2-enylidene)amino]guanidine?
The canonical SMILES for 2-[(2-bromo-3-phenylprop-2-enylidene)amino]guanidine is NC(N)=NN=CC(Br)=Cc1ccccc1.
What is the InChIKey of 2-[(2-bromo-3-phenylprop-2-enylidene)amino]guanidine?
The InChIKey is KRIUQXTZAHCMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c11-9(7-14-15-10(12)13)6-8-4-2-1-3-5-8/h1-7H,(H4,12,13,15).
What are the key properties of 2-[(2-bromo-3-phenylprop-2-enylidene)amino]guanidine?
2-[(2-bromo-3-phenylprop-2-enylidene)amino]guanidine has a molecular weight of 267.13 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3-phenylprop-2-enylidene)amino]guanidine is sourced from PubChem (CID 2858290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).