3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

C11H12N2O2 — CID 15268193

IUPAC3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCOn1c(=O)n2c3c(cccc31)CCC2
InChIInChI=1S/C11H12N2O2/c1-15-13-9-6-2-4-8-5-3-7-12(10(8)9)11(13)14/h2,4,6H,3,5,7H2,1H3
InChIKeyRXQQURUNSIVYEZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.81
Rot. Bonds1

About 3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (PubChem CID 15268193) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.

Molecular Properties

Compound Name3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
PubChem CID15268193
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCOn1c(=O)n2c3c(cccc31)CCC2
InChIInChI=1S/C11H12N2O2/c1-15-13-9-6-2-4-8-5-3-7-12(10(8)9)11(13)14/h2,4,6H,3,5,7H2,1H3
InChIKeyRXQQURUNSIVYEZ-UHFFFAOYSA-N
XLogP0.81
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The IUPAC name of 3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (CID 15268193) is 3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.
What is the SMILES notation for 3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The canonical SMILES for 3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is COn1c(=O)n2c3c(cccc31)CCC2.
What is the InChIKey of 3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The InChIKey is RXQQURUNSIVYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-13-9-6-2-4-8-5-3-7-12(10(8)9)11(13)14/h2,4,6H,3,5,7H2,1H3.
What are the key properties of 3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one has a molecular weight of 204.23 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is sourced from PubChem (CID 15268193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).