8-ethyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one

C13H12N2O2 — CID 10561307

IUPAC8-ethyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one
SMILESCCC1Oc2cccnc2-n2cccc2C1=O
InChIInChI=1S/C13H12N2O2/c1-2-10-12(16)9-5-4-8-15(9)13-11(17-10)6-3-7-14-13/h3-8,10H,2H2,1H3
InChIKeyDXHIJBOGZNIKHQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.23
Rot. Bonds1

About 8-ethyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one

8-ethyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one (PubChem CID 10561307) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 8-ethyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one.

Molecular Properties

Compound Name8-ethyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one
PubChem CID10561307
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name8-ethyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one
SMILESCCC1Oc2cccnc2-n2cccc2C1=O
InChIInChI=1S/C13H12N2O2/c1-2-10-12(16)9-5-4-8-15(9)13-11(17-10)6-3-7-14-13/h3-8,10H,2H2,1H3
InChIKeyDXHIJBOGZNIKHQ-UHFFFAOYSA-N
XLogP2.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one?
The IUPAC name of 8-ethyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one (CID 10561307) is 8-ethyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one.
What is the SMILES notation for 8-ethyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one?
The canonical SMILES for 8-ethyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one is CCC1Oc2cccnc2-n2cccc2C1=O.
What is the InChIKey of 8-ethyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one?
The InChIKey is DXHIJBOGZNIKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-2-10-12(16)9-5-4-8-15(9)13-11(17-10)6-3-7-14-13/h3-8,10H,2H2,1H3.
What are the key properties of 8-ethyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one?
8-ethyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one has a molecular weight of 228.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one is sourced from PubChem (CID 10561307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).