bicyclo[5.3.1]undeca-1(11),7,9-triene-8,11-dicarboxamide

C13H16N2O2 — CID 155661871

IUPACbicyclo[5.3.1]undeca-1(11),7,9-triene-8,11-dicarboxamide
SMILESNC(=O)c1ccc2c(C(N)=O)c1CCCCC2
InChIInChI=1S/C13H16N2O2/c14-12(16)10-7-6-8-4-2-1-3-5-9(10)11(8)13(15)17/h6-7H,1-5H2,(H2,14,16)(H2,15,17)
InChIKeyYVFOZFVJTZDMPB-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.15
Rot. Bonds2

About bicyclo[5.3.1]undeca-1(11),7,9-triene-8,11-dicarboxamide

bicyclo[5.3.1]undeca-1(11),7,9-triene-8,11-dicarboxamide (PubChem CID 155661871) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is bicyclo[5.3.1]undeca-1(11),7,9-triene-8,11-dicarboxamide.

Molecular Properties

Compound Namebicyclo[5.3.1]undeca-1(11),7,9-triene-8,11-dicarboxamide
PubChem CID155661871
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namebicyclo[5.3.1]undeca-1(11),7,9-triene-8,11-dicarboxamide
SMILESNC(=O)c1ccc2c(C(N)=O)c1CCCCC2
InChIInChI=1S/C13H16N2O2/c14-12(16)10-7-6-8-4-2-1-3-5-9(10)11(8)13(15)17/h6-7H,1-5H2,(H2,14,16)(H2,15,17)
InChIKeyYVFOZFVJTZDMPB-UHFFFAOYSA-N
XLogP1.15
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[5.3.1]undeca-1(11),7,9-triene-8,11-dicarboxamide?
The IUPAC name of bicyclo[5.3.1]undeca-1(11),7,9-triene-8,11-dicarboxamide (CID 155661871) is bicyclo[5.3.1]undeca-1(11),7,9-triene-8,11-dicarboxamide.
What is the SMILES notation for bicyclo[5.3.1]undeca-1(11),7,9-triene-8,11-dicarboxamide?
The canonical SMILES for bicyclo[5.3.1]undeca-1(11),7,9-triene-8,11-dicarboxamide is NC(=O)c1ccc2c(C(N)=O)c1CCCCC2.
What is the InChIKey of bicyclo[5.3.1]undeca-1(11),7,9-triene-8,11-dicarboxamide?
The InChIKey is YVFOZFVJTZDMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-12(16)10-7-6-8-4-2-1-3-5-9(10)11(8)13(15)17/h6-7H,1-5H2,(H2,14,16)(H2,15,17).
What are the key properties of bicyclo[5.3.1]undeca-1(11),7,9-triene-8,11-dicarboxamide?
bicyclo[5.3.1]undeca-1(11),7,9-triene-8,11-dicarboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[5.3.1]undeca-1(11),7,9-triene-8,11-dicarboxamide is sourced from PubChem (CID 155661871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).