5-oxa-7-azatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-dien-8-one

C12H15NO2 — CID 101495466

IUPAC5-oxa-7-azatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-dien-8-one
SMILESO=c1[nH]c2c(c3c1CCCCC3)CCO2
InChIInChI=1S/C12H15NO2/c14-11-9-5-3-1-2-4-8(9)10-6-7-15-12(10)13-11/h1-7H2,(H,13,14)
InChIKeyWPBFGPHUVWRDHK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.58
Rot. Bonds

About 5-oxa-7-azatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-dien-8-one

5-oxa-7-azatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-dien-8-one (PubChem CID 101495466) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-oxa-7-azatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-dien-8-one.

Molecular Properties

Compound Name5-oxa-7-azatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-dien-8-one
PubChem CID101495466
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5-oxa-7-azatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-dien-8-one
SMILESO=c1[nH]c2c(c3c1CCCCC3)CCO2
InChIInChI=1S/C12H15NO2/c14-11-9-5-3-1-2-4-8(9)10-6-7-15-12(10)13-11/h1-7H2,(H,13,14)
InChIKeyWPBFGPHUVWRDHK-UHFFFAOYSA-N
XLogP1.58
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxa-7-azatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-dien-8-one?
The IUPAC name of 5-oxa-7-azatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-dien-8-one (CID 101495466) is 5-oxa-7-azatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-dien-8-one.
What is the SMILES notation for 5-oxa-7-azatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-dien-8-one?
The canonical SMILES for 5-oxa-7-azatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-dien-8-one is O=c1[nH]c2c(c3c1CCCCC3)CCO2.
What is the InChIKey of 5-oxa-7-azatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-dien-8-one?
The InChIKey is WPBFGPHUVWRDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-11-9-5-3-1-2-4-8(9)10-6-7-15-12(10)13-11/h1-7H2,(H,13,14).
What are the key properties of 5-oxa-7-azatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-dien-8-one?
5-oxa-7-azatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-dien-8-one has a molecular weight of 205.26 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxa-7-azatricyclo[7.5.0.02,6]tetradeca-1(9),2(6)-dien-8-one is sourced from PubChem (CID 101495466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).