9-(2-fluorophenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one

C17H13FN2O — CID 15704066

IUPAC9-(2-fluorophenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one
SMILESO=C1CN=C(c2ccccc2F)c2cccc3c2N1CC3
InChIInChI=1S/C17H13FN2O/c18-14-7-2-1-5-12(14)16-13-6-3-4-11-8-9-20(17(11)13)15(21)10-19-16/h1-7H,8-10H2
InChIKeyKLDYDMUEXCURSQ-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.57
Rot. Bonds1

About 9-(2-fluorophenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one

9-(2-fluorophenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one (PubChem CID 15704066) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 9-(2-fluorophenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one.

Molecular Properties

Compound Name9-(2-fluorophenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one
PubChem CID15704066
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name9-(2-fluorophenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one
SMILESO=C1CN=C(c2ccccc2F)c2cccc3c2N1CC3
InChIInChI=1S/C17H13FN2O/c18-14-7-2-1-5-12(14)16-13-6-3-4-11-8-9-20(17(11)13)15(21)10-19-16/h1-7H,8-10H2
InChIKeyKLDYDMUEXCURSQ-UHFFFAOYSA-N
XLogP2.57
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(2-fluorophenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one?
The IUPAC name of 9-(2-fluorophenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one (CID 15704066) is 9-(2-fluorophenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one.
What is the SMILES notation for 9-(2-fluorophenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one?
The canonical SMILES for 9-(2-fluorophenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one is O=C1CN=C(c2ccccc2F)c2cccc3c2N1CC3.
What is the InChIKey of 9-(2-fluorophenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one?
The InChIKey is KLDYDMUEXCURSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c18-14-7-2-1-5-12(14)16-13-6-3-4-11-8-9-20(17(11)13)15(21)10-19-16/h1-7H,8-10H2.
What are the key properties of 9-(2-fluorophenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one?
9-(2-fluorophenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one has a molecular weight of 280.30 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluorophenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one is sourced from PubChem (CID 15704066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).