(6S)-9-cyclobutyl-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one

C16H19FN2O2 — CID 75529063

IUPAC(6S)-9-cyclobutyl-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
SMILESO=C1OC[C@@H]2CCN(C3CCC3)Cc3ccc(F)cc3N12
InChIInChI=1S/C16H19FN2O2/c17-12-5-4-11-9-18(13-2-1-3-13)7-6-14-10-21-16(20)19(14)15(11)8-12/h4-5,8,13-14H,1-3,6-7,9-10H2/t14-/m0/s1
InChIKeyLUSZLRFYTACNGF-AWEZNQCLSA-N
MW290.34 g/mol
LogP2.91
Rot. Bonds1

About (6S)-9-cyclobutyl-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one

(6S)-9-cyclobutyl-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one (PubChem CID 75529063) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is (6S)-9-cyclobutyl-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one.

Molecular Properties

Compound Name(6S)-9-cyclobutyl-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
PubChem CID75529063
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name(6S)-9-cyclobutyl-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
SMILESO=C1OC[C@@H]2CCN(C3CCC3)Cc3ccc(F)cc3N12
InChIInChI=1S/C16H19FN2O2/c17-12-5-4-11-9-18(13-2-1-3-13)7-6-14-10-21-16(20)19(14)15(11)8-12/h4-5,8,13-14H,1-3,6-7,9-10H2/t14-/m0/s1
InChIKeyLUSZLRFYTACNGF-AWEZNQCLSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6S)-9-cyclobutyl-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-9-cyclobutyl-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?
The IUPAC name of (6S)-9-cyclobutyl-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one (CID 75529063) is (6S)-9-cyclobutyl-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one.
What is the SMILES notation for (6S)-9-cyclobutyl-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?
The canonical SMILES for (6S)-9-cyclobutyl-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one is O=C1OC[C@@H]2CCN(C3CCC3)Cc3ccc(F)cc3N12.
What is the InChIKey of (6S)-9-cyclobutyl-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?
The InChIKey is LUSZLRFYTACNGF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-12-5-4-11-9-18(13-2-1-3-13)7-6-14-10-21-16(20)19(14)15(11)8-12/h4-5,8,13-14H,1-3,6-7,9-10H2/t14-/m0/s1.
What are the key properties of (6S)-9-cyclobutyl-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?
(6S)-9-cyclobutyl-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one has a molecular weight of 290.34 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-9-cyclobutyl-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one is sourced from PubChem (CID 75529063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).