(5R)-8,8-dimethyl-1-azoniabicyclo[3.2.1]oct-2-ene

C9H16N+ — CID 76763986

IUPAC(5R)-8,8-dimethyl-1-azoniabicyclo[3.2.1]oct-2-ene
SMILESCC1(C)[C@@H]2CC=C[NH+]1CC2
InChIInChI=1S/C9H15N/c1-9(2)8-4-3-6-10(9)7-5-8/h3,6,8H,4-5,7H2,1-2H3/p+1/t8-/m1/s1
InChIKeyPOMCRHKPVWFISR-MRVPVSSYSA-O
MW138.23 g/mol
LogP0.59
Rot. Bonds

About (5R)-8,8-dimethyl-1-azoniabicyclo[3.2.1]oct-2-ene

(5R)-8,8-dimethyl-1-azoniabicyclo[3.2.1]oct-2-ene (PubChem CID 76763986) has the molecular formula C9H16N+ and a molecular weight of 138.23 g/mol. Its IUPAC name is (5R)-8,8-dimethyl-1-azoniabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name(5R)-8,8-dimethyl-1-azoniabicyclo[3.2.1]oct-2-ene
PubChem CID76763986
Molecular FormulaC9H16N+
Molecular Weight138.23 g/mol
Exact Mass138.13
IUPAC Name(5R)-8,8-dimethyl-1-azoniabicyclo[3.2.1]oct-2-ene
SMILESCC1(C)[C@@H]2CC=C[NH+]1CC2
InChIInChI=1S/C9H15N/c1-9(2)8-4-3-6-10(9)7-5-8/h3,6,8H,4-5,7H2,1-2H3/p+1/t8-/m1/s1
InChIKeyPOMCRHKPVWFISR-MRVPVSSYSA-O
XLogP0.59
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5R)-8,8-dimethyl-1-azoniabicyclo[3.2.1]oct-2-ene?
The IUPAC name of (5R)-8,8-dimethyl-1-azoniabicyclo[3.2.1]oct-2-ene (CID 76763986) is (5R)-8,8-dimethyl-1-azoniabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for (5R)-8,8-dimethyl-1-azoniabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for (5R)-8,8-dimethyl-1-azoniabicyclo[3.2.1]oct-2-ene is CC1(C)[C@@H]2CC=C[NH+]1CC2.
What is the InChIKey of (5R)-8,8-dimethyl-1-azoniabicyclo[3.2.1]oct-2-ene?
The InChIKey is POMCRHKPVWFISR-MRVPVSSYSA-O. The full InChI is InChI=1S/C9H15N/c1-9(2)8-4-3-6-10(9)7-5-8/h3,6,8H,4-5,7H2,1-2H3/p+1/t8-/m1/s1.
What are the key properties of (5R)-8,8-dimethyl-1-azoniabicyclo[3.2.1]oct-2-ene?
(5R)-8,8-dimethyl-1-azoniabicyclo[3.2.1]oct-2-ene has a molecular weight of 138.23 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-8,8-dimethyl-1-azoniabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 76763986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).