2-azabicyclo[2.2.1]hept-5-ene;ethane

C8H15N — CID 143448110

IUPAC2-azabicyclo[2.2.1]hept-5-ene;ethane
SMILESC1=CC2CC1CN2.CC
InChIInChI=1S/C6H9N.C2H6/c1-2-6-3-5(1)4-7-6;1-2/h1-2,5-7H,3-4H2;1-2H3
InChIKeyURBQXZTUBSUVMJ-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.56
Rot. Bonds

About 2-azabicyclo[2.2.1]hept-5-ene;ethane

2-azabicyclo[2.2.1]hept-5-ene;ethane (PubChem CID 143448110) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]hept-5-ene;ethane.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]hept-5-ene;ethane
PubChem CID143448110
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2-azabicyclo[2.2.1]hept-5-ene;ethane
SMILESC1=CC2CC1CN2.CC
InChIInChI=1S/C6H9N.C2H6/c1-2-6-3-5(1)4-7-6;1-2/h1-2,5-7H,3-4H2;1-2H3
InChIKeyURBQXZTUBSUVMJ-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
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-azabicyclo[2.2.1]hept-5-ene;ethane?
The IUPAC name of 2-azabicyclo[2.2.1]hept-5-ene;ethane (CID 143448110) is 2-azabicyclo[2.2.1]hept-5-ene;ethane.
What is the SMILES notation for 2-azabicyclo[2.2.1]hept-5-ene;ethane?
The canonical SMILES for 2-azabicyclo[2.2.1]hept-5-ene;ethane is C1=CC2CC1CN2.CC.
What is the InChIKey of 2-azabicyclo[2.2.1]hept-5-ene;ethane?
The InChIKey is URBQXZTUBSUVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C2H6/c1-2-6-3-5(1)4-7-6;1-2/h1-2,5-7H,3-4H2;1-2H3.
What are the key properties of 2-azabicyclo[2.2.1]hept-5-ene;ethane?
2-azabicyclo[2.2.1]hept-5-ene;ethane has a molecular weight of 125.21 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]hept-5-ene;ethane is sourced from PubChem (CID 143448110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).