ethyl 8-fluoro-2-methyl-10-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylate

C15H15FN2O3 — CID 176762496

IUPACethyl 8-fluoro-2-methyl-10-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylate
SMILESCCOC(=O)c1cn2c3c(ncc(F)c3c1=O)CCC2C
InChIInChI=1S/C15H15FN2O3/c1-3-21-15(20)9-7-18-8(2)4-5-11-13(18)12(14(9)19)10(16)6-17-11/h6-8H,3-5H2,1-2H3
InChIKeyQFDWRKBILHMSQL-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.22
Rot. Bonds2

About ethyl 8-fluoro-2-methyl-10-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylate

ethyl 8-fluoro-2-methyl-10-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylate (PubChem CID 176762496) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is ethyl 8-fluoro-2-methyl-10-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylate.

Molecular Properties

Compound Nameethyl 8-fluoro-2-methyl-10-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylate
PubChem CID176762496
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Nameethyl 8-fluoro-2-methyl-10-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylate
SMILESCCOC(=O)c1cn2c3c(ncc(F)c3c1=O)CCC2C
InChIInChI=1S/C15H15FN2O3/c1-3-21-15(20)9-7-18-8(2)4-5-11-13(18)12(14(9)19)10(16)6-17-11/h6-8H,3-5H2,1-2H3
InChIKeyQFDWRKBILHMSQL-UHFFFAOYSA-N
XLogP2.22
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-fluoro-2-methyl-10-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylate?
The IUPAC name of ethyl 8-fluoro-2-methyl-10-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylate (CID 176762496) is ethyl 8-fluoro-2-methyl-10-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylate.
What is the SMILES notation for ethyl 8-fluoro-2-methyl-10-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylate?
The canonical SMILES for ethyl 8-fluoro-2-methyl-10-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylate is CCOC(=O)c1cn2c3c(ncc(F)c3c1=O)CCC2C.
What is the InChIKey of ethyl 8-fluoro-2-methyl-10-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylate?
The InChIKey is QFDWRKBILHMSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-3-21-15(20)9-7-18-8(2)4-5-11-13(18)12(14(9)19)10(16)6-17-11/h6-8H,3-5H2,1-2H3.
What are the key properties of ethyl 8-fluoro-2-methyl-10-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylate?
ethyl 8-fluoro-2-methyl-10-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylate has a molecular weight of 290.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-fluoro-2-methyl-10-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylate is sourced from PubChem (CID 176762496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).