3-methylidene-8-azabicyclo[3.2.1]octane

C8H13N — CID 58902776

IUPAC3-methylidene-8-azabicyclo[3.2.1]octane
SMILESC=C1CC2CCC(C1)N2
InChIInChI=1S/C8H13N/c1-6-4-7-2-3-8(5-6)9-7/h7-9H,1-5H2
InChIKeyMXQPENUGELTBFF-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.46
Rot. Bonds

About 3-methylidene-8-azabicyclo[3.2.1]octane

3-methylidene-8-azabicyclo[3.2.1]octane (PubChem CID 58902776) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3-methylidene-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-methylidene-8-azabicyclo[3.2.1]octane
PubChem CID58902776
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3-methylidene-8-azabicyclo[3.2.1]octane
SMILESC=C1CC2CCC(C1)N2
InChIInChI=1S/C8H13N/c1-6-4-7-2-3-8(5-6)9-7/h7-9H,1-5H2
InChIKeyMXQPENUGELTBFF-UHFFFAOYSA-N
XLogP1.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.46
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 3-methylidene-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-methylidene-8-azabicyclo[3.2.1]octane (CID 58902776) is 3-methylidene-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-methylidene-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-methylidene-8-azabicyclo[3.2.1]octane is C=C1CC2CCC(C1)N2.
What is the InChIKey of 3-methylidene-8-azabicyclo[3.2.1]octane?
The InChIKey is MXQPENUGELTBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6-4-7-2-3-8(5-6)9-7/h7-9H,1-5H2.
What are the key properties of 3-methylidene-8-azabicyclo[3.2.1]octane?
3-methylidene-8-azabicyclo[3.2.1]octane has a molecular weight of 123.20 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58902776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).