5-oxa-3,10-diazatricyclo[9.4.0.03,7]pentadeca-1(15),8,11,13-tetraen-2-one

C12H12N2O2 — CID 137484681

IUPAC5-oxa-3,10-diazatricyclo[9.4.0.03,7]pentadeca-1(15),8,11,13-tetraen-2-one
SMILESO=C1c2ccccc2NC=CC2COCN12
InChIInChI=1S/C12H12N2O2/c15-12-10-3-1-2-4-11(10)13-6-5-9-7-16-8-14(9)12/h1-6,9,13H,7-8H2
InChIKeyKEUOYDHZZVTXFF-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.42
Rot. Bonds

About 5-oxa-3,10-diazatricyclo[9.4.0.03,7]pentadeca-1(15),8,11,13-tetraen-2-one

5-oxa-3,10-diazatricyclo[9.4.0.03,7]pentadeca-1(15),8,11,13-tetraen-2-one (PubChem CID 137484681) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-oxa-3,10-diazatricyclo[9.4.0.03,7]pentadeca-1(15),8,11,13-tetraen-2-one.

Molecular Properties

Compound Name5-oxa-3,10-diazatricyclo[9.4.0.03,7]pentadeca-1(15),8,11,13-tetraen-2-one
PubChem CID137484681
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-oxa-3,10-diazatricyclo[9.4.0.03,7]pentadeca-1(15),8,11,13-tetraen-2-one
SMILESO=C1c2ccccc2NC=CC2COCN12
InChIInChI=1S/C12H12N2O2/c15-12-10-3-1-2-4-11(10)13-6-5-9-7-16-8-14(9)12/h1-6,9,13H,7-8H2
InChIKeyKEUOYDHZZVTXFF-UHFFFAOYSA-N
XLogP1.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-oxa-3,10-diazatricyclo[9.4.0.03,7]pentadeca-1(15),8,11,13-tetraen-2-one with MolForge

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Related Compounds

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2-morpholin-4-yl-2,3-dihydro-1H-quinazolin-4-one
CID 66885078
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Frequently Asked Questions

What is the IUPAC name of 5-oxa-3,10-diazatricyclo[9.4.0.03,7]pentadeca-1(15),8,11,13-tetraen-2-one?
The IUPAC name of 5-oxa-3,10-diazatricyclo[9.4.0.03,7]pentadeca-1(15),8,11,13-tetraen-2-one (CID 137484681) is 5-oxa-3,10-diazatricyclo[9.4.0.03,7]pentadeca-1(15),8,11,13-tetraen-2-one.
What is the SMILES notation for 5-oxa-3,10-diazatricyclo[9.4.0.03,7]pentadeca-1(15),8,11,13-tetraen-2-one?
The canonical SMILES for 5-oxa-3,10-diazatricyclo[9.4.0.03,7]pentadeca-1(15),8,11,13-tetraen-2-one is O=C1c2ccccc2NC=CC2COCN12.
What is the InChIKey of 5-oxa-3,10-diazatricyclo[9.4.0.03,7]pentadeca-1(15),8,11,13-tetraen-2-one?
The InChIKey is KEUOYDHZZVTXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-12-10-3-1-2-4-11(10)13-6-5-9-7-16-8-14(9)12/h1-6,9,13H,7-8H2.
What are the key properties of 5-oxa-3,10-diazatricyclo[9.4.0.03,7]pentadeca-1(15),8,11,13-tetraen-2-one?
5-oxa-3,10-diazatricyclo[9.4.0.03,7]pentadeca-1(15),8,11,13-tetraen-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxa-3,10-diazatricyclo[9.4.0.03,7]pentadeca-1(15),8,11,13-tetraen-2-one is sourced from PubChem (CID 137484681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).