12-azabicyclo[9.2.1]tetradec-1(14)-en-13-one

C13H21NO — CID 71373515

IUPAC12-azabicyclo[9.2.1]tetradec-1(14)-en-13-one
SMILESO=C1NC2C=C1CCCCCCCCC2
InChIInChI=1S/C13H21NO/c15-13-11-8-6-4-2-1-3-5-7-9-12(10-11)14-13/h10,12H,1-9H2,(H,14,15)
InChIKeyUKZMBVUJBWIGBJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.94
Rot. Bonds

About 12-azabicyclo[9.2.1]tetradec-1(14)-en-13-one

12-azabicyclo[9.2.1]tetradec-1(14)-en-13-one (PubChem CID 71373515) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 12-azabicyclo[9.2.1]tetradec-1(14)-en-13-one.

Molecular Properties

Compound Name12-azabicyclo[9.2.1]tetradec-1(14)-en-13-one
PubChem CID71373515
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name12-azabicyclo[9.2.1]tetradec-1(14)-en-13-one
SMILESO=C1NC2C=C1CCCCCCCCC2
InChIInChI=1S/C13H21NO/c15-13-11-8-6-4-2-1-3-5-7-9-12(10-11)14-13/h10,12H,1-9H2,(H,14,15)
InChIKeyUKZMBVUJBWIGBJ-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12-azabicyclo[9.2.1]tetradec-1(14)-en-13-one?
The IUPAC name of 12-azabicyclo[9.2.1]tetradec-1(14)-en-13-one (CID 71373515) is 12-azabicyclo[9.2.1]tetradec-1(14)-en-13-one.
What is the SMILES notation for 12-azabicyclo[9.2.1]tetradec-1(14)-en-13-one?
The canonical SMILES for 12-azabicyclo[9.2.1]tetradec-1(14)-en-13-one is O=C1NC2C=C1CCCCCCCCC2.
What is the InChIKey of 12-azabicyclo[9.2.1]tetradec-1(14)-en-13-one?
The InChIKey is UKZMBVUJBWIGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-13-11-8-6-4-2-1-3-5-7-9-12(10-11)14-13/h10,12H,1-9H2,(H,14,15).
What are the key properties of 12-azabicyclo[9.2.1]tetradec-1(14)-en-13-one?
12-azabicyclo[9.2.1]tetradec-1(14)-en-13-one has a molecular weight of 207.32 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-azabicyclo[9.2.1]tetradec-1(14)-en-13-one is sourced from PubChem (CID 71373515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).