11-azabicyclo[8.3.1]tetradeca-1(14),10,12-triene-13-carboxamide

C14H20N2O — CID 11776128

IUPAC11-azabicyclo[8.3.1]tetradeca-1(14),10,12-triene-13-carboxamide
SMILESNC(=O)c1cnc2cc1CCCCCCCC2
InChIInChI=1S/C14H20N2O/c15-14(17)13-10-16-12-8-6-4-2-1-3-5-7-11(13)9-12/h9-10H,1-8H2,(H2,15,17)
InChIKeyGSQGSYORFAHHPP-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.62
Rot. Bonds1

About 11-azabicyclo[8.3.1]tetradeca-1(14),10,12-triene-13-carboxamide

11-azabicyclo[8.3.1]tetradeca-1(14),10,12-triene-13-carboxamide (PubChem CID 11776128) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 11-azabicyclo[8.3.1]tetradeca-1(14),10,12-triene-13-carboxamide.

Molecular Properties

Compound Name11-azabicyclo[8.3.1]tetradeca-1(14),10,12-triene-13-carboxamide
PubChem CID11776128
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name11-azabicyclo[8.3.1]tetradeca-1(14),10,12-triene-13-carboxamide
SMILESNC(=O)c1cnc2cc1CCCCCCCC2
InChIInChI=1S/C14H20N2O/c15-14(17)13-10-16-12-8-6-4-2-1-3-5-7-11(13)9-12/h9-10H,1-8H2,(H2,15,17)
InChIKeyGSQGSYORFAHHPP-UHFFFAOYSA-N
XLogP2.62
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-azabicyclo[8.3.1]tetradeca-1(14),10,12-triene-13-carboxamide?
The IUPAC name of 11-azabicyclo[8.3.1]tetradeca-1(14),10,12-triene-13-carboxamide (CID 11776128) is 11-azabicyclo[8.3.1]tetradeca-1(14),10,12-triene-13-carboxamide.
What is the SMILES notation for 11-azabicyclo[8.3.1]tetradeca-1(14),10,12-triene-13-carboxamide?
The canonical SMILES for 11-azabicyclo[8.3.1]tetradeca-1(14),10,12-triene-13-carboxamide is NC(=O)c1cnc2cc1CCCCCCCC2.
What is the InChIKey of 11-azabicyclo[8.3.1]tetradeca-1(14),10,12-triene-13-carboxamide?
The InChIKey is GSQGSYORFAHHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-14(17)13-10-16-12-8-6-4-2-1-3-5-7-11(13)9-12/h9-10H,1-8H2,(H2,15,17).
What are the key properties of 11-azabicyclo[8.3.1]tetradeca-1(14),10,12-triene-13-carboxamide?
11-azabicyclo[8.3.1]tetradeca-1(14),10,12-triene-13-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azabicyclo[8.3.1]tetradeca-1(14),10,12-triene-13-carboxamide is sourced from PubChem (CID 11776128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).