10-amino-8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-12-one

C14H11FN2O — CID 15728817

IUPAC10-amino-8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-12-one
SMILESNc1c2c(nc3cccc(F)c13)C1CC(C1)C2=O
InChIInChI=1S/C14H11FN2O/c15-8-2-1-3-9-10(8)12(16)11-13(17-9)6-4-7(5-6)14(11)18/h1-3,6-7H,4-5H2,(H2,16,17)
InChIKeyULXQZYIEOXHZIM-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.65
Rot. Bonds

About 10-amino-8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-12-one

10-amino-8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-12-one (PubChem CID 15728817) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 10-amino-8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-12-one.

Molecular Properties

Compound Name10-amino-8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-12-one
PubChem CID15728817
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name10-amino-8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-12-one
SMILESNc1c2c(nc3cccc(F)c13)C1CC(C1)C2=O
InChIInChI=1S/C14H11FN2O/c15-8-2-1-3-9-10(8)12(16)11-13(17-9)6-4-7(5-6)14(11)18/h1-3,6-7H,4-5H2,(H2,16,17)
InChIKeyULXQZYIEOXHZIM-UHFFFAOYSA-N
XLogP2.65
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-amino-8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-12-one?
The IUPAC name of 10-amino-8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-12-one (CID 15728817) is 10-amino-8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-12-one.
What is the SMILES notation for 10-amino-8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-12-one?
The canonical SMILES for 10-amino-8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-12-one is Nc1c2c(nc3cccc(F)c13)C1CC(C1)C2=O.
What is the InChIKey of 10-amino-8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-12-one?
The InChIKey is ULXQZYIEOXHZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-8-2-1-3-9-10(8)12(16)11-13(17-9)6-4-7(5-6)14(11)18/h1-3,6-7H,4-5H2,(H2,16,17).
What are the key properties of 10-amino-8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-12-one?
10-amino-8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-12-one has a molecular weight of 242.25 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-12-one is sourced from PubChem (CID 15728817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).