phenyl-(2-prop-2-enylphenyl)diazene;hydrobromide

C15H15BrN2 — CID 175082656

IUPACphenyl-(2-prop-2-enylphenyl)diazene;hydrobromide
SMILESBr.C=CCc1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C15H14N2.BrH/c1-2-8-13-9-6-7-12-15(13)17-16-14-10-4-3-5-11-14;/h2-7,9-12H,1,8H2;1H/b17-16+;
InChIKeyDIAVHDVIXFCSLM-CMBBICFISA-N
MW303.20 g/mol
LogP5.41
Rot. Bonds4

About phenyl-(2-prop-2-enylphenyl)diazene;hydrobromide

phenyl-(2-prop-2-enylphenyl)diazene;hydrobromide (PubChem CID 175082656) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is phenyl-(2-prop-2-enylphenyl)diazene;hydrobromide.

Molecular Properties

Compound Namephenyl-(2-prop-2-enylphenyl)diazene;hydrobromide
PubChem CID175082656
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC Namephenyl-(2-prop-2-enylphenyl)diazene;hydrobromide
SMILESBr.C=CCc1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C15H14N2.BrH/c1-2-8-13-9-6-7-12-15(13)17-16-14-10-4-3-5-11-14;/h2-7,9-12H,1,8H2;1H/b17-16+;
InChIKeyDIAVHDVIXFCSLM-CMBBICFISA-N
XLogP5.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.20
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
1,2-bis(prop-2-enyl)benzene;formic acid
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aluminum tris(2-prop-2-enylbenzoate)
CID 70137738
4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline
CID 13007572
2-prop-2-enylbenzoic acid
CID 2752991
3-(phenyldiazenylmethyl)-2,5-bis(prop-2-enyl)benzene-1,4-diol
CID 56620005
5,17-bis(phenyldiazenyl)-11,23-bis(prop-2-enyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 136738712

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-prop-2-enylphenyl)diazene;hydrobromide?
The IUPAC name of phenyl-(2-prop-2-enylphenyl)diazene;hydrobromide (CID 175082656) is phenyl-(2-prop-2-enylphenyl)diazene;hydrobromide.
What is the SMILES notation for phenyl-(2-prop-2-enylphenyl)diazene;hydrobromide?
The canonical SMILES for phenyl-(2-prop-2-enylphenyl)diazene;hydrobromide is Br.C=CCc1ccccc1/N=N/c1ccccc1.
What is the InChIKey of phenyl-(2-prop-2-enylphenyl)diazene;hydrobromide?
The InChIKey is DIAVHDVIXFCSLM-CMBBICFISA-N. The full InChI is InChI=1S/C15H14N2.BrH/c1-2-8-13-9-6-7-12-15(13)17-16-14-10-4-3-5-11-14;/h2-7,9-12H,1,8H2;1H/b17-16+;.
What are the key properties of phenyl-(2-prop-2-enylphenyl)diazene;hydrobromide?
phenyl-(2-prop-2-enylphenyl)diazene;hydrobromide has a molecular weight of 303.20 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-prop-2-enylphenyl)diazene;hydrobromide is sourced from PubChem (CID 175082656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).