(9R,11S)-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

C14H13NO2 — CID 118712862

IUPAC(9R,11S)-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESc1coc([C@@H]2C[C@H]3Cc4ccccc4N2O3)c1
InChIInChI=1S/C14H13NO2/c1-2-5-12-10(4-1)8-11-9-13(15(12)17-11)14-6-3-7-16-14/h1-7,11,13H,8-9H2/t11-,13+/m1/s1
InChIKeyBNPSFYSDBGECMA-YPMHNXCESA-N
MW227.26 g/mol
LogP3.09
Rot. Bonds1

About (9R,11S)-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

(9R,11S)-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (PubChem CID 118712862) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (9R,11S)-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name(9R,11S)-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
PubChem CID118712862
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(9R,11S)-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESc1coc([C@@H]2C[C@H]3Cc4ccccc4N2O3)c1
InChIInChI=1S/C14H13NO2/c1-2-5-12-10(4-1)8-11-9-13(15(12)17-11)14-6-3-7-16-14/h1-7,11,13H,8-9H2/t11-,13+/m1/s1
InChIKeyBNPSFYSDBGECMA-YPMHNXCESA-N
XLogP3.09
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (9R,11S)-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene with MolForge

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Related Compounds

4-Furan-2-yl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline
CID 3154540
2-Furan-2-yl-6-phenyl-7-oxa-1-aza-bicyclo[2.2.1]heptane
CID 565046
8-Fluoro-4-(2-furyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 664607
(2S,4R)-2-(furan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 118712888
(2S,4R)-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 118712889
2-(Furan-2-yl)-2,3-dihydroquinolin-4(1h)-one
CID 10867616
4-Furan-2-yl-8-methyl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline
CID 2943614
(9R,11S)-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 118712863
(9R,11S)-11-(5-nitrofuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 118712864
(9R,11S)-5-chloro-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 118712865
(9R,11S)-5-chloro-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 118712866
rel-(1R,2S,4R)-7-Fluoro-2-(2-furanyl)-2,3,4,5-tetrahydro-1,4-epoxy-1H-1-benzazepine
CID 118712867

Frequently Asked Questions

What is the IUPAC name of (9R,11S)-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of (9R,11S)-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (CID 118712862) is (9R,11S)-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for (9R,11S)-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for (9R,11S)-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is c1coc([C@@H]2C[C@H]3Cc4ccccc4N2O3)c1.
What is the InChIKey of (9R,11S)-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The InChIKey is BNPSFYSDBGECMA-YPMHNXCESA-N. The full InChI is InChI=1S/C14H13NO2/c1-2-5-12-10(4-1)8-11-9-13(15(12)17-11)14-6-3-7-16-14/h1-7,11,13H,8-9H2/t11-,13+/m1/s1.
What are the key properties of (9R,11S)-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
(9R,11S)-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene has a molecular weight of 227.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,11S)-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 118712862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).