N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide

C14H16N2O2 — CID 7526966

IUPACN-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide
SMILESCC(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C14H16N2O2/c1-9(17)15-12-7-10-3-2-6-16-13(18)5-4-11(8-12)14(10)16/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyOYYPEMISDIMYAE-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.87
Rot. Bonds1

About N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide

N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide (PubChem CID 7526966) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide.

Molecular Properties

Compound NameN-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide
PubChem CID7526966
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide
SMILESCC(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C14H16N2O2/c1-9(17)15-12-7-10-3-2-6-16-13(18)5-4-11(8-12)14(10)16/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyOYYPEMISDIMYAE-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide?
The IUPAC name of N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide (CID 7526966) is N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide.
What is the SMILES notation for N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide?
The canonical SMILES for N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide is CC(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2.
What is the InChIKey of N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide?
The InChIKey is OYYPEMISDIMYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(17)15-12-7-10-3-2-6-16-13(18)5-4-11(8-12)14(10)16/h7-8H,2-6H2,1H3,(H,15,17).
What are the key properties of N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide?
N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide has a molecular weight of 244.29 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide is sourced from PubChem (CID 7526966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).