2,7,8-trimethyl-2-azabicyclo[2.2.2]oct-5-ene

C10H17N — CID 20664056

IUPAC2,7,8-trimethyl-2-azabicyclo[2.2.2]oct-5-ene
SMILESCC1C2C=CC(C1C)N(C)C2
InChIInChI=1S/C10H17N/c1-7-8(2)10-5-4-9(7)6-11(10)3/h4-5,7-10H,6H2,1-3H3
InChIKeyBXWNZICGKMXVKK-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.76
Rot. Bonds

About 2,7,8-trimethyl-2-azabicyclo[2.2.2]oct-5-ene

2,7,8-trimethyl-2-azabicyclo[2.2.2]oct-5-ene (PubChem CID 20664056) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2,7,8-trimethyl-2-azabicyclo[2.2.2]oct-5-ene.

Molecular Properties

Compound Name2,7,8-trimethyl-2-azabicyclo[2.2.2]oct-5-ene
PubChem CID20664056
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2,7,8-trimethyl-2-azabicyclo[2.2.2]oct-5-ene
SMILESCC1C2C=CC(C1C)N(C)C2
InChIInChI=1S/C10H17N/c1-7-8(2)10-5-4-9(7)6-11(10)3/h4-5,7-10H,6H2,1-3H3
InChIKeyBXWNZICGKMXVKK-UHFFFAOYSA-N
XLogP1.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7,8-trimethyl-2-azabicyclo[2.2.2]oct-5-ene?
The IUPAC name of 2,7,8-trimethyl-2-azabicyclo[2.2.2]oct-5-ene (CID 20664056) is 2,7,8-trimethyl-2-azabicyclo[2.2.2]oct-5-ene.
What is the SMILES notation for 2,7,8-trimethyl-2-azabicyclo[2.2.2]oct-5-ene?
The canonical SMILES for 2,7,8-trimethyl-2-azabicyclo[2.2.2]oct-5-ene is CC1C2C=CC(C1C)N(C)C2.
What is the InChIKey of 2,7,8-trimethyl-2-azabicyclo[2.2.2]oct-5-ene?
The InChIKey is BXWNZICGKMXVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7-8(2)10-5-4-9(7)6-11(10)3/h4-5,7-10H,6H2,1-3H3.
What are the key properties of 2,7,8-trimethyl-2-azabicyclo[2.2.2]oct-5-ene?
2,7,8-trimethyl-2-azabicyclo[2.2.2]oct-5-ene has a molecular weight of 151.25 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8-trimethyl-2-azabicyclo[2.2.2]oct-5-ene is sourced from PubChem (CID 20664056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).