1-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one

C13H13NO — CID 154455032

IUPAC1-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one
SMILESO=C1C=CC2CCC1(c1ccccc1)N2
InChIInChI=1S/C13H13NO/c15-12-7-6-11-8-9-13(12,14-11)10-4-2-1-3-5-10/h1-7,11,14H,8-9H2
InChIKeyMVTGWGPHUVSFMN-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.77
Rot. Bonds1

About 1-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one

1-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one (PubChem CID 154455032) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name1-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one
PubChem CID154455032
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name1-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one
SMILESO=C1C=CC2CCC1(c1ccccc1)N2
InChIInChI=1S/C13H13NO/c15-12-7-6-11-8-9-13(12,14-11)10-4-2-1-3-5-10/h1-7,11,14H,8-9H2
InChIKeyMVTGWGPHUVSFMN-UHFFFAOYSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of 1-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one (CID 154455032) is 1-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for 1-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for 1-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one is O=C1C=CC2CCC1(c1ccccc1)N2.
What is the InChIKey of 1-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is MVTGWGPHUVSFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c15-12-7-6-11-8-9-13(12,14-11)10-4-2-1-3-5-10/h1-7,11,14H,8-9H2.
What are the key properties of 1-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one?
1-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one has a molecular weight of 199.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 154455032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).