1-azoniatricyclo[3.3.1.02,4]nonane bromide

C8H14BrN — CID 140524578

IUPAC1-azoniatricyclo[3.3.1.02,4]nonane bromide
SMILESC1CC2C[NH+](C1)C1CC21.[Br-]
InChIInChI=1S/C8H13N.BrH/c1-2-6-5-9(3-1)8-4-7(6)8;/h6-8H,1-5H2;1H
InChIKeyMJAISXFMVDJLCZ-UHFFFAOYSA-N
MW204.11 g/mol
LogP-3.31
Rot. Bonds

About 1-azoniatricyclo[3.3.1.02,4]nonane bromide

1-azoniatricyclo[3.3.1.02,4]nonane bromide (PubChem CID 140524578) has the molecular formula C8H14BrN and a molecular weight of 204.11 g/mol. Its IUPAC name is 1-azoniatricyclo[3.3.1.02,4]nonane bromide.

Molecular Properties

Compound Name1-azoniatricyclo[3.3.1.02,4]nonane bromide
PubChem CID140524578
Molecular FormulaC8H14BrN
Molecular Weight204.11 g/mol
Exact Mass203.03
IUPAC Name1-azoniatricyclo[3.3.1.02,4]nonane bromide
SMILESC1CC2C[NH+](C1)C1CC21.[Br-]
InChIInChI=1S/C8H13N.BrH/c1-2-6-5-9(3-1)8-4-7(6)8;/h6-8H,1-5H2;1H
InChIKeyMJAISXFMVDJLCZ-UHFFFAOYSA-N
XLogP-3.31
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 5-3.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-azoniatricyclo[3.3.1.02,4]nonane bromide?
The IUPAC name of 1-azoniatricyclo[3.3.1.02,4]nonane bromide (CID 140524578) is 1-azoniatricyclo[3.3.1.02,4]nonane bromide.
What is the SMILES notation for 1-azoniatricyclo[3.3.1.02,4]nonane bromide?
The canonical SMILES for 1-azoniatricyclo[3.3.1.02,4]nonane bromide is C1CC2C[NH+](C1)C1CC21.[Br-].
What is the InChIKey of 1-azoniatricyclo[3.3.1.02,4]nonane bromide?
The InChIKey is MJAISXFMVDJLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.BrH/c1-2-6-5-9(3-1)8-4-7(6)8;/h6-8H,1-5H2;1H.
What are the key properties of 1-azoniatricyclo[3.3.1.02,4]nonane bromide?
1-azoniatricyclo[3.3.1.02,4]nonane bromide has a molecular weight of 204.11 g/mol, XLogP of -3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azoniatricyclo[3.3.1.02,4]nonane bromide is sourced from PubChem (CID 140524578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).