3-phenyl-8-azabicyclo[3.2.1]oct-2-ene

C13H15N — CID 10154356

IUPAC3-phenyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccccc2)CC2CCC1N2
InChIInChI=1S/C13H15N/c1-2-4-10(5-3-1)11-8-12-6-7-13(9-11)14-12/h1-5,8,12-14H,6-7,9H2
InChIKeyVHBRUQHAUJNUAM-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.59
Rot. Bonds1

About 3-phenyl-8-azabicyclo[3.2.1]oct-2-ene

3-phenyl-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 10154356) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-phenyl-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name3-phenyl-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID10154356
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name3-phenyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccccc2)CC2CCC1N2
InChIInChI=1S/C13H15N/c1-2-4-10(5-3-1)11-8-12-6-7-13(9-11)14-12/h1-5,8,12-14H,6-7,9H2
InChIKeyVHBRUQHAUJNUAM-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 3-phenyl-8-azabicyclo[3.2.1]oct-2-ene (CID 10154356) is 3-phenyl-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 3-phenyl-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 3-phenyl-8-azabicyclo[3.2.1]oct-2-ene is C1=C(c2ccccc2)CC2CCC1N2.
What is the InChIKey of 3-phenyl-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is VHBRUQHAUJNUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-2-4-10(5-3-1)11-8-12-6-7-13(9-11)14-12/h1-5,8,12-14H,6-7,9H2.
What are the key properties of 3-phenyl-8-azabicyclo[3.2.1]oct-2-ene?
3-phenyl-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 185.27 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 10154356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).