6-oxa-1,13-diazatricyclo[6.5.2.011,14]pentadeca-11(14),12-dien-7-one

C12H16N2O2 — CID 10976985

IUPAC6-oxa-1,13-diazatricyclo[6.5.2.011,14]pentadeca-11(14),12-dien-7-one
SMILESO=C1OCCCCn2ncc3c2CC1CC3
InChIInChI=1S/C12H16N2O2/c15-12-9-3-4-10-8-13-14(11(10)7-9)5-1-2-6-16-12/h8-9H,1-7H2
InChIKeyNRTVHCGLTSTYJE-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.33
Rot. Bonds

About 6-oxa-1,13-diazatricyclo[6.5.2.011,14]pentadeca-11(14),12-dien-7-one

6-oxa-1,13-diazatricyclo[6.5.2.011,14]pentadeca-11(14),12-dien-7-one (PubChem CID 10976985) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-oxa-1,13-diazatricyclo[6.5.2.011,14]pentadeca-11(14),12-dien-7-one.

Molecular Properties

Compound Name6-oxa-1,13-diazatricyclo[6.5.2.011,14]pentadeca-11(14),12-dien-7-one
PubChem CID10976985
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-oxa-1,13-diazatricyclo[6.5.2.011,14]pentadeca-11(14),12-dien-7-one
SMILESO=C1OCCCCn2ncc3c2CC1CC3
InChIInChI=1S/C12H16N2O2/c15-12-9-3-4-10-8-13-14(11(10)7-9)5-1-2-6-16-12/h8-9H,1-7H2
InChIKeyNRTVHCGLTSTYJE-UHFFFAOYSA-N
XLogP1.33
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxa-1,13-diazatricyclo[6.5.2.011,14]pentadeca-11(14),12-dien-7-one?
The IUPAC name of 6-oxa-1,13-diazatricyclo[6.5.2.011,14]pentadeca-11(14),12-dien-7-one (CID 10976985) is 6-oxa-1,13-diazatricyclo[6.5.2.011,14]pentadeca-11(14),12-dien-7-one.
What is the SMILES notation for 6-oxa-1,13-diazatricyclo[6.5.2.011,14]pentadeca-11(14),12-dien-7-one?
The canonical SMILES for 6-oxa-1,13-diazatricyclo[6.5.2.011,14]pentadeca-11(14),12-dien-7-one is O=C1OCCCCn2ncc3c2CC1CC3.
What is the InChIKey of 6-oxa-1,13-diazatricyclo[6.5.2.011,14]pentadeca-11(14),12-dien-7-one?
The InChIKey is NRTVHCGLTSTYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12-9-3-4-10-8-13-14(11(10)7-9)5-1-2-6-16-12/h8-9H,1-7H2.
What are the key properties of 6-oxa-1,13-diazatricyclo[6.5.2.011,14]pentadeca-11(14),12-dien-7-one?
6-oxa-1,13-diazatricyclo[6.5.2.011,14]pentadeca-11(14),12-dien-7-one has a molecular weight of 220.27 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-1,13-diazatricyclo[6.5.2.011,14]pentadeca-11(14),12-dien-7-one is sourced from PubChem (CID 10976985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).