2-prop-2-enylbenzenediazonium

C9H9N2+ — CID 87917862

IUPAC2-prop-2-enylbenzenediazonium
SMILESC=CCc1ccccc1[N+]#N
InChIInChI=1S/C9H9N2/c1-2-5-8-6-3-4-7-9(8)11-10/h2-4,6-7H,1,5H2/q+1
InChIKeyPAPLMZICJGJQHS-UHFFFAOYSA-N
MW145.18 g/mol
LogP2.90
Rot. Bonds2

About 2-prop-2-enylbenzenediazonium

2-prop-2-enylbenzenediazonium (PubChem CID 87917862) has the molecular formula C9H9N2+ and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-prop-2-enylbenzenediazonium.

Molecular Properties

Compound Name2-prop-2-enylbenzenediazonium
PubChem CID87917862
Molecular FormulaC9H9N2+
Molecular Weight145.18 g/mol
Exact Mass145.08
IUPAC Name2-prop-2-enylbenzenediazonium
SMILESC=CCc1ccccc1[N+]#N
InChIInChI=1S/C9H9N2/c1-2-5-8-6-3-4-7-9(8)11-10/h2-4,6-7H,1,5H2/q+1
InChIKeyPAPLMZICJGJQHS-UHFFFAOYSA-N
XLogP2.90
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2-diazoniophenyl)methyl]benzenediazonium
CID 57324568
2-prop-2-enylaniline
CID 3036592
calcium bis(2-prop-2-enylbenzenethiolate)
CID 175031842
palladium(2+);2-prop-2-enylaniline;dichloride
CID 3036591
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610
2-(2-diazoniophenyl)acetate
CID 172717003
1-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280
CID 174939744
CID 174939744
lithium (2-prop-2-enylphenyl)azanide
CID 22988539
methane;1-methyl-2-prop-2-enylbenzene
CID 174365033

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylbenzenediazonium?
The IUPAC name of 2-prop-2-enylbenzenediazonium (CID 87917862) is 2-prop-2-enylbenzenediazonium.
What is the SMILES notation for 2-prop-2-enylbenzenediazonium?
The canonical SMILES for 2-prop-2-enylbenzenediazonium is C=CCc1ccccc1[N+]#N.
What is the InChIKey of 2-prop-2-enylbenzenediazonium?
The InChIKey is PAPLMZICJGJQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2/c1-2-5-8-6-3-4-7-9(8)11-10/h2-4,6-7H,1,5H2/q+1.
What are the key properties of 2-prop-2-enylbenzenediazonium?
2-prop-2-enylbenzenediazonium has a molecular weight of 145.18 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylbenzenediazonium is sourced from PubChem (CID 87917862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).