3-phenyl-9-azabicyclo[3.3.1]non-2-ene

C14H17N — CID 70023991

IUPAC3-phenyl-9-azabicyclo[3.3.1]non-2-ene
SMILESC1=C(c2ccccc2)CC2CCCC1N2
InChIInChI=1S/C14H17N/c1-2-5-11(6-3-1)12-9-13-7-4-8-14(10-12)15-13/h1-3,5-6,9,13-15H,4,7-8,10H2
InChIKeyOFXBEGCAEYLXPM-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.98
Rot. Bonds1

About 3-phenyl-9-azabicyclo[3.3.1]non-2-ene

3-phenyl-9-azabicyclo[3.3.1]non-2-ene (PubChem CID 70023991) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-phenyl-9-azabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name3-phenyl-9-azabicyclo[3.3.1]non-2-ene
PubChem CID70023991
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name3-phenyl-9-azabicyclo[3.3.1]non-2-ene
SMILESC1=C(c2ccccc2)CC2CCCC1N2
InChIInChI=1S/C14H17N/c1-2-5-11(6-3-1)12-9-13-7-4-8-14(10-12)15-13/h1-3,5-6,9,13-15H,4,7-8,10H2
InChIKeyOFXBEGCAEYLXPM-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-azabicyclo[3.3.1]non-2-ene?
The IUPAC name of 3-phenyl-9-azabicyclo[3.3.1]non-2-ene (CID 70023991) is 3-phenyl-9-azabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 3-phenyl-9-azabicyclo[3.3.1]non-2-ene?
The canonical SMILES for 3-phenyl-9-azabicyclo[3.3.1]non-2-ene is C1=C(c2ccccc2)CC2CCCC1N2.
What is the InChIKey of 3-phenyl-9-azabicyclo[3.3.1]non-2-ene?
The InChIKey is OFXBEGCAEYLXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-2-5-11(6-3-1)12-9-13-7-4-8-14(10-12)15-13/h1-3,5-6,9,13-15H,4,7-8,10H2.
What are the key properties of 3-phenyl-9-azabicyclo[3.3.1]non-2-ene?
3-phenyl-9-azabicyclo[3.3.1]non-2-ene has a molecular weight of 199.30 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-9-azabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 70023991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).