6-oxa-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11-dien-13-one

C11H17N3O2 — CID 129165001

IUPAC6-oxa-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11-dien-13-one
SMILESO=c1cc2[nH]c(c1)CNCCOCCNC2
InChIInChI=1S/C11H17N3O2/c15-11-5-9-7-12-1-3-16-4-2-13-8-10(6-11)14-9/h5-6,12-13H,1-4,7-8H2,(H,14,15)
InChIKeyKACOYXGRTUBDDT-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.42
Rot. Bonds

About 6-oxa-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11-dien-13-one

6-oxa-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11-dien-13-one (PubChem CID 129165001) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-oxa-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11-dien-13-one.

Molecular Properties

Compound Name6-oxa-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11-dien-13-one
PubChem CID129165001
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-oxa-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11-dien-13-one
SMILESO=c1cc2[nH]c(c1)CNCCOCCNC2
InChIInChI=1S/C11H17N3O2/c15-11-5-9-7-12-1-3-16-4-2-13-8-10(6-11)14-9/h5-6,12-13H,1-4,7-8H2,(H,14,15)
InChIKeyKACOYXGRTUBDDT-UHFFFAOYSA-N
XLogP-0.42
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-oxa-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11-dien-13-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-oxa-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11-dien-13-one?
The IUPAC name of 6-oxa-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11-dien-13-one (CID 129165001) is 6-oxa-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11-dien-13-one.
What is the SMILES notation for 6-oxa-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11-dien-13-one?
The canonical SMILES for 6-oxa-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11-dien-13-one is O=c1cc2[nH]c(c1)CNCCOCCNC2.
What is the InChIKey of 6-oxa-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11-dien-13-one?
The InChIKey is KACOYXGRTUBDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-11-5-9-7-12-1-3-16-4-2-13-8-10(6-11)14-9/h5-6,12-13H,1-4,7-8H2,(H,14,15).
What are the key properties of 6-oxa-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11-dien-13-one?
6-oxa-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11-dien-13-one has a molecular weight of 223.28 g/mol, XLogP of -0.42, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-3,9,15-triazabicyclo[9.3.1]pentadeca-1(14),11-dien-13-one is sourced from PubChem (CID 129165001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).