2-bicyclo[2.2.1]hept-5-enylazanium

C7H12N+ — CID 134866757

IUPAC2-bicyclo[2.2.1]hept-5-enylazanium
SMILES[NH3+]C1CC2C=CC1C2
InChIInChI=1S/C7H11N/c8-7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4,8H2/p+1
InChIKeyCYMRDAUUJQRTGL-UHFFFAOYSA-O
MW110.18 g/mol
LogP0.19
Rot. Bonds

About 2-bicyclo[2.2.1]hept-5-enylazanium

2-bicyclo[2.2.1]hept-5-enylazanium (PubChem CID 134866757) has the molecular formula C7H12N+ and a molecular weight of 110.18 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylazanium.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylazanium
PubChem CID134866757
Molecular FormulaC7H12N+
Molecular Weight110.18 g/mol
Exact Mass110.10
IUPAC Name2-bicyclo[2.2.1]hept-5-enylazanium
SMILES[NH3+]C1CC2C=CC1C2
InChIInChI=1S/C7H11N/c8-7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4,8H2/p+1
InChIKeyCYMRDAUUJQRTGL-UHFFFAOYSA-O
XLogP0.19
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.18
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R)-bicyclo[2.2.1]hept-5-en-2-ol
CID 67822008
2-bicyclo[2.2.1]hept-5-enylphosphane
CID 89139519
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
(1R,4R)-5-(chloromethyl)bicyclo[2.2.1]hept-2-ene
CID 11815475
[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trichlorosilane
CID 25113252
(1S,4R,5S)-5-(bromomethyl)bicyclo[2.2.1]hept-2-ene
CID 99137828
(4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 118065983
(1R,4S,5S)-5-ethenylbicyclo[2.2.1]hept-2-ene
CID 6427482
CID 123207984
CID 123207984
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dichloroborane
CID 100966944
[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane
CID 134979166

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enylazanium?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylazanium (CID 134866757) is 2-bicyclo[2.2.1]hept-5-enylazanium.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylazanium?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylazanium is [NH3+]C1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylazanium?
The InChIKey is CYMRDAUUJQRTGL-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H11N/c8-7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4,8H2/p+1.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylazanium?
2-bicyclo[2.2.1]hept-5-enylazanium has a molecular weight of 110.18 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylazanium is sourced from PubChem (CID 134866757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).