12-azabicyclo[7.2.1]dodeca-1(11),9-dien-2-one

C11H15NO — CID 23258029

IUPAC12-azabicyclo[7.2.1]dodeca-1(11),9-dien-2-one
SMILESO=C1CCCCCCc2ccc1[nH]2
InChIInChI=1S/C11H15NO/c13-11-6-4-2-1-3-5-9-7-8-10(11)12-9/h7-8,12H,1-6H2
InChIKeyLAGPTOBCYACTDT-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.70
Rot. Bonds

About 12-azabicyclo[7.2.1]dodeca-1(11),9-dien-2-one

12-azabicyclo[7.2.1]dodeca-1(11),9-dien-2-one (PubChem CID 23258029) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 12-azabicyclo[7.2.1]dodeca-1(11),9-dien-2-one.

Molecular Properties

Compound Name12-azabicyclo[7.2.1]dodeca-1(11),9-dien-2-one
PubChem CID23258029
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name12-azabicyclo[7.2.1]dodeca-1(11),9-dien-2-one
SMILESO=C1CCCCCCc2ccc1[nH]2
InChIInChI=1S/C11H15NO/c13-11-6-4-2-1-3-5-9-7-8-10(11)12-9/h7-8,12H,1-6H2
InChIKeyLAGPTOBCYACTDT-UHFFFAOYSA-N
XLogP2.70
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12-azabicyclo[7.2.1]dodeca-1(11),9-dien-2-one?
The IUPAC name of 12-azabicyclo[7.2.1]dodeca-1(11),9-dien-2-one (CID 23258029) is 12-azabicyclo[7.2.1]dodeca-1(11),9-dien-2-one.
What is the SMILES notation for 12-azabicyclo[7.2.1]dodeca-1(11),9-dien-2-one?
The canonical SMILES for 12-azabicyclo[7.2.1]dodeca-1(11),9-dien-2-one is O=C1CCCCCCc2ccc1[nH]2.
What is the InChIKey of 12-azabicyclo[7.2.1]dodeca-1(11),9-dien-2-one?
The InChIKey is LAGPTOBCYACTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c13-11-6-4-2-1-3-5-9-7-8-10(11)12-9/h7-8,12H,1-6H2.
What are the key properties of 12-azabicyclo[7.2.1]dodeca-1(11),9-dien-2-one?
12-azabicyclo[7.2.1]dodeca-1(11),9-dien-2-one has a molecular weight of 177.25 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-azabicyclo[7.2.1]dodeca-1(11),9-dien-2-one is sourced from PubChem (CID 23258029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).