3-ethenyl-8-methyl-8-azabicyclo[3.2.1]octane

C10H17N — CID 69136334

IUPAC3-ethenyl-8-methyl-8-azabicyclo[3.2.1]octane
SMILESC=CC1CC2CCC(C1)N2C
InChIInChI=1S/C10H17N/c1-3-8-6-9-4-5-10(7-8)11(9)2/h3,8-10H,1,4-7H2,2H3
InChIKeyLFZFWLAEVKSIHU-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.05
Rot. Bonds1

About 3-ethenyl-8-methyl-8-azabicyclo[3.2.1]octane

3-ethenyl-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 69136334) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-ethenyl-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-ethenyl-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID69136334
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-ethenyl-8-methyl-8-azabicyclo[3.2.1]octane
SMILESC=CC1CC2CCC(C1)N2C
InChIInChI=1S/C10H17N/c1-3-8-6-9-4-5-10(7-8)11(9)2/h3,8-10H,1,4-7H2,2H3
InChIKeyLFZFWLAEVKSIHU-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.05
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 3-ethenyl-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-ethenyl-8-methyl-8-azabicyclo[3.2.1]octane (CID 69136334) is 3-ethenyl-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-ethenyl-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-ethenyl-8-methyl-8-azabicyclo[3.2.1]octane is C=CC1CC2CCC(C1)N2C.
What is the InChIKey of 3-ethenyl-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is LFZFWLAEVKSIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-8-6-9-4-5-10(7-8)11(9)2/h3,8-10H,1,4-7H2,2H3.
What are the key properties of 3-ethenyl-8-methyl-8-azabicyclo[3.2.1]octane?
3-ethenyl-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 151.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 69136334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).