8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-one

C15H19NO — CID 13428506

IUPAC8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2CCc1ccccc1
InChIInChI=1S/C15H19NO/c17-15-10-13-6-7-14(11-15)16(13)9-8-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2
InChIKeyYLEOMBARMPNDLK-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.42
Rot. Bonds3

About 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-one

8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 13428506) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID13428506
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2CCc1ccccc1
InChIInChI=1S/C15H19NO/c17-15-10-13-6-7-14(11-15)16(13)9-8-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2
InChIKeyYLEOMBARMPNDLK-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-one (CID 13428506) is 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1)N2CCc1ccccc1.
What is the InChIKey of 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is YLEOMBARMPNDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-15-10-13-6-7-14(11-15)16(13)9-8-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2.
What are the key properties of 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-one?
8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 229.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 13428506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).