4-phenyl-4,10-diazatricyclo[5.2.1.02,6]deca-1,6,8-trien-3-one

C14H10N2O — CID 154447499

IUPAC4-phenyl-4,10-diazatricyclo[5.2.1.02,6]deca-1,6,8-trien-3-one
SMILESO=C1c2c(c3ccc2[nH]3)CN1c1ccccc1
InChIInChI=1S/C14H10N2O/c17-14-13-10(11-6-7-12(13)15-11)8-16(14)9-4-2-1-3-5-9/h1-7,15H,8H2
InChIKeyUDEJIRDLWPLAMU-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.77
Rot. Bonds1

About 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]deca-1,6,8-trien-3-one

4-phenyl-4,10-diazatricyclo[5.2.1.02,6]deca-1,6,8-trien-3-one (PubChem CID 154447499) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]deca-1,6,8-trien-3-one.

Molecular Properties

Compound Name4-phenyl-4,10-diazatricyclo[5.2.1.02,6]deca-1,6,8-trien-3-one
PubChem CID154447499
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name4-phenyl-4,10-diazatricyclo[5.2.1.02,6]deca-1,6,8-trien-3-one
SMILESO=C1c2c(c3ccc2[nH]3)CN1c1ccccc1
InChIInChI=1S/C14H10N2O/c17-14-13-10(11-6-7-12(13)15-11)8-16(14)9-4-2-1-3-5-9/h1-7,15H,8H2
InChIKeyUDEJIRDLWPLAMU-UHFFFAOYSA-N
XLogP2.77
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]deca-1,6,8-trien-3-one?
The IUPAC name of 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]deca-1,6,8-trien-3-one (CID 154447499) is 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]deca-1,6,8-trien-3-one.
What is the SMILES notation for 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]deca-1,6,8-trien-3-one?
The canonical SMILES for 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]deca-1,6,8-trien-3-one is O=C1c2c(c3ccc2[nH]3)CN1c1ccccc1.
What is the InChIKey of 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]deca-1,6,8-trien-3-one?
The InChIKey is UDEJIRDLWPLAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c17-14-13-10(11-6-7-12(13)15-11)8-16(14)9-4-2-1-3-5-9/h1-7,15H,8H2.
What are the key properties of 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]deca-1,6,8-trien-3-one?
4-phenyl-4,10-diazatricyclo[5.2.1.02,6]deca-1,6,8-trien-3-one has a molecular weight of 222.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4,10-diazatricyclo[5.2.1.02,6]deca-1,6,8-trien-3-one is sourced from PubChem (CID 154447499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).