3,7-diazatricyclo[7.2.2.02,7]trideca-1(11),2,4,9-tetraen-6-one

C11H10N2O — CID 123558010

IUPAC3,7-diazatricyclo[7.2.2.02,7]trideca-1(11),2,4,9-tetraen-6-one
SMILESO=c1ccnc2n1CC1=CC=C2CC1
InChIInChI=1S/C11H10N2O/c14-10-5-6-12-11-9-3-1-8(2-4-9)7-13(10)11/h1,3,5-6H,2,4,7H2
InChIKeyXPYDJMXWZQRUPB-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.36
Rot. Bonds

About 3,7-diazatricyclo[7.2.2.02,7]trideca-1(11),2,4,9-tetraen-6-one

3,7-diazatricyclo[7.2.2.02,7]trideca-1(11),2,4,9-tetraen-6-one (PubChem CID 123558010) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 3,7-diazatricyclo[7.2.2.02,7]trideca-1(11),2,4,9-tetraen-6-one.

Molecular Properties

Compound Name3,7-diazatricyclo[7.2.2.02,7]trideca-1(11),2,4,9-tetraen-6-one
PubChem CID123558010
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name3,7-diazatricyclo[7.2.2.02,7]trideca-1(11),2,4,9-tetraen-6-one
SMILESO=c1ccnc2n1CC1=CC=C2CC1
InChIInChI=1S/C11H10N2O/c14-10-5-6-12-11-9-3-1-8(2-4-9)7-13(10)11/h1,3,5-6H,2,4,7H2
InChIKeyXPYDJMXWZQRUPB-UHFFFAOYSA-N
XLogP1.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[(E)-oct-4-en-4-yl]pyrimidin-4-one
CID 102163879
7,9-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 20347980
9-Ethylpyrido[1,2-a]pyrimidin-4-one
CID 20347986
2-Pentyl-9-prop-2-enylpyrido[1,2-a]pyrimidin-4-one
CID 70520307
9-Cyclopropylpyrido[1,2-a]pyrimidin-4-one
CID 170269145

Frequently Asked Questions

What is the IUPAC name of 3,7-diazatricyclo[7.2.2.02,7]trideca-1(11),2,4,9-tetraen-6-one?
The IUPAC name of 3,7-diazatricyclo[7.2.2.02,7]trideca-1(11),2,4,9-tetraen-6-one (CID 123558010) is 3,7-diazatricyclo[7.2.2.02,7]trideca-1(11),2,4,9-tetraen-6-one.
What is the SMILES notation for 3,7-diazatricyclo[7.2.2.02,7]trideca-1(11),2,4,9-tetraen-6-one?
The canonical SMILES for 3,7-diazatricyclo[7.2.2.02,7]trideca-1(11),2,4,9-tetraen-6-one is O=c1ccnc2n1CC1=CC=C2CC1.
What is the InChIKey of 3,7-diazatricyclo[7.2.2.02,7]trideca-1(11),2,4,9-tetraen-6-one?
The InChIKey is XPYDJMXWZQRUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-10-5-6-12-11-9-3-1-8(2-4-9)7-13(10)11/h1,3,5-6H,2,4,7H2.
What are the key properties of 3,7-diazatricyclo[7.2.2.02,7]trideca-1(11),2,4,9-tetraen-6-one?
3,7-diazatricyclo[7.2.2.02,7]trideca-1(11),2,4,9-tetraen-6-one has a molecular weight of 186.21 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diazatricyclo[7.2.2.02,7]trideca-1(11),2,4,9-tetraen-6-one is sourced from PubChem (CID 123558010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).