(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)carbamic acid

C12H9FN2O3 — CID 118556725

IUPAC(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)carbamic acid
SMILESO=C(O)NC1Cn2c(=O)ccc3ccc(F)c1c32
InChIInChI=1S/C12H9FN2O3/c13-7-3-1-6-2-4-9(16)15-5-8(14-12(17)18)10(7)11(6)15/h1-4,8,14H,5H2,(H,17,18)
InChIKeyFSNLMFVTICGZCB-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.46
Rot. Bonds1

About (5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)carbamic acid

(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)carbamic acid (PubChem CID 118556725) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is (5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)carbamic acid.

Molecular Properties

Compound Name(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)carbamic acid
PubChem CID118556725
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)carbamic acid
SMILESO=C(O)NC1Cn2c(=O)ccc3ccc(F)c1c32
InChIInChI=1S/C12H9FN2O3/c13-7-3-1-6-2-4-9(16)15-5-8(14-12(17)18)10(7)11(6)15/h1-4,8,14H,5H2,(H,17,18)
InChIKeyFSNLMFVTICGZCB-UHFFFAOYSA-N
XLogP1.46
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)carbamic acid?
The IUPAC name of (5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)carbamic acid (CID 118556725) is (5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)carbamic acid.
What is the SMILES notation for (5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)carbamic acid?
The canonical SMILES for (5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)carbamic acid is O=C(O)NC1Cn2c(=O)ccc3ccc(F)c1c32.
What is the InChIKey of (5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)carbamic acid?
The InChIKey is FSNLMFVTICGZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-7-3-1-6-2-4-9(16)15-5-8(14-12(17)18)10(7)11(6)15/h1-4,8,14H,5H2,(H,17,18).
What are the key properties of (5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)carbamic acid?
(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)carbamic acid has a molecular weight of 248.21 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)carbamic acid is sourced from PubChem (CID 118556725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).