3-(1-phenylethylidene)-8-azabicyclo[3.2.1]octane

C15H19N — CID 143087852

IUPAC3-(1-phenylethylidene)-8-azabicyclo[3.2.1]octane
SMILESCC(=C1CC2CCC(C1)N2)c1ccccc1
InChIInChI=1S/C15H19N/c1-11(12-5-3-2-4-6-12)13-9-14-7-8-15(10-13)16-14/h2-6,14-16H,7-10H2,1H3
InChIKeyRDHWYYDIZCPVIW-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.37
Rot. Bonds1

About 3-(1-phenylethylidene)-8-azabicyclo[3.2.1]octane

3-(1-phenylethylidene)-8-azabicyclo[3.2.1]octane (PubChem CID 143087852) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(1-phenylethylidene)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(1-phenylethylidene)-8-azabicyclo[3.2.1]octane
PubChem CID143087852
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name3-(1-phenylethylidene)-8-azabicyclo[3.2.1]octane
SMILESCC(=C1CC2CCC(C1)N2)c1ccccc1
InChIInChI=1S/C15H19N/c1-11(12-5-3-2-4-6-12)13-9-14-7-8-15(10-13)16-14/h2-6,14-16H,7-10H2,1H3
InChIKeyRDHWYYDIZCPVIW-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethylidene)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(1-phenylethylidene)-8-azabicyclo[3.2.1]octane (CID 143087852) is 3-(1-phenylethylidene)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(1-phenylethylidene)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(1-phenylethylidene)-8-azabicyclo[3.2.1]octane is CC(=C1CC2CCC(C1)N2)c1ccccc1.
What is the InChIKey of 3-(1-phenylethylidene)-8-azabicyclo[3.2.1]octane?
The InChIKey is RDHWYYDIZCPVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-11(12-5-3-2-4-6-12)13-9-14-7-8-15(10-13)16-14/h2-6,14-16H,7-10H2,1H3.
What are the key properties of 3-(1-phenylethylidene)-8-azabicyclo[3.2.1]octane?
3-(1-phenylethylidene)-8-azabicyclo[3.2.1]octane has a molecular weight of 213.32 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethylidene)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 143087852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).