8-benzyl-8-azabicyclo[5.2.0]nona-3,5-dien-9-one

C15H15NO — CID 11413467

IUPAC8-benzyl-8-azabicyclo[5.2.0]nona-3,5-dien-9-one
SMILESO=C1C2CC=CC=CC2N1Cc1ccccc1
InChIInChI=1S/C15H15NO/c17-15-13-9-5-2-6-10-14(13)16(15)11-12-7-3-1-4-8-12/h1-8,10,13-14H,9,11H2
InChIKeyUUCXLVWVLOWJOY-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.53
Rot. Bonds2

About 8-benzyl-8-azabicyclo[5.2.0]nona-3,5-dien-9-one

8-benzyl-8-azabicyclo[5.2.0]nona-3,5-dien-9-one (PubChem CID 11413467) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 8-benzyl-8-azabicyclo[5.2.0]nona-3,5-dien-9-one.

Molecular Properties

Compound Name8-benzyl-8-azabicyclo[5.2.0]nona-3,5-dien-9-one
PubChem CID11413467
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name8-benzyl-8-azabicyclo[5.2.0]nona-3,5-dien-9-one
SMILESO=C1C2CC=CC=CC2N1Cc1ccccc1
InChIInChI=1S/C15H15NO/c17-15-13-9-5-2-6-10-14(13)16(15)11-12-7-3-1-4-8-12/h1-8,10,13-14H,9,11H2
InChIKeyUUCXLVWVLOWJOY-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-8-azabicyclo[5.2.0]nona-3,5-dien-9-one?
The IUPAC name of 8-benzyl-8-azabicyclo[5.2.0]nona-3,5-dien-9-one (CID 11413467) is 8-benzyl-8-azabicyclo[5.2.0]nona-3,5-dien-9-one.
What is the SMILES notation for 8-benzyl-8-azabicyclo[5.2.0]nona-3,5-dien-9-one?
The canonical SMILES for 8-benzyl-8-azabicyclo[5.2.0]nona-3,5-dien-9-one is O=C1C2CC=CC=CC2N1Cc1ccccc1.
What is the InChIKey of 8-benzyl-8-azabicyclo[5.2.0]nona-3,5-dien-9-one?
The InChIKey is UUCXLVWVLOWJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c17-15-13-9-5-2-6-10-14(13)16(15)11-12-7-3-1-4-8-12/h1-8,10,13-14H,9,11H2.
What are the key properties of 8-benzyl-8-azabicyclo[5.2.0]nona-3,5-dien-9-one?
8-benzyl-8-azabicyclo[5.2.0]nona-3,5-dien-9-one has a molecular weight of 225.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-8-azabicyclo[5.2.0]nona-3,5-dien-9-one is sourced from PubChem (CID 11413467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).