2-bicyclo[2.2.1]hept-5-enylmethyl(trimethyl)azanium

C11H20N+ — CID 102294300

IUPAC2-bicyclo[2.2.1]hept-5-enylmethyl(trimethyl)azanium
SMILESC[N+](C)(C)CC1CC2C=CC1C2
InChIInChI=1S/C11H20N/c1-12(2,3)8-11-7-9-4-5-10(11)6-9/h4-5,9-11H,6-8H2,1-3H3/q+1
InChIKeyUQEOBTVGTLLUHV-UHFFFAOYSA-N
MW166.29 g/mol
LogP1.90
Rot. Bonds2

About 2-bicyclo[2.2.1]hept-5-enylmethyl(trimethyl)azanium

2-bicyclo[2.2.1]hept-5-enylmethyl(trimethyl)azanium (PubChem CID 102294300) has the molecular formula C11H20N+ and a molecular weight of 166.29 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethyl(trimethyl)azanium.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethyl(trimethyl)azanium
PubChem CID102294300
Molecular FormulaC11H20N+
Molecular Weight166.29 g/mol
Exact Mass166.16
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethyl(trimethyl)azanium
SMILESC[N+](C)(C)CC1CC2C=CC1C2
InChIInChI=1S/C11H20N/c1-12(2,3)8-11-7-9-4-5-10(11)6-9/h4-5,9-11H,6-8H2,1-3H3/q+1
InChIKeyUQEOBTVGTLLUHV-UHFFFAOYSA-N
XLogP1.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethyl(trimethyl)azanium?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethyl(trimethyl)azanium (CID 102294300) is 2-bicyclo[2.2.1]hept-5-enylmethyl(trimethyl)azanium.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethyl(trimethyl)azanium?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethyl(trimethyl)azanium is C[N+](C)(C)CC1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethyl(trimethyl)azanium?
The InChIKey is UQEOBTVGTLLUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N/c1-12(2,3)8-11-7-9-4-5-10(11)6-9/h4-5,9-11H,6-8H2,1-3H3/q+1.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethyl(trimethyl)azanium?
2-bicyclo[2.2.1]hept-5-enylmethyl(trimethyl)azanium has a molecular weight of 166.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethyl(trimethyl)azanium is sourced from PubChem (CID 102294300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).