(9R,11S)-5-chloro-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

C14H12ClNO2 — CID 118712865

IUPAC(9R,11S)-5-chloro-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESClc1ccc2c(c1)C[C@@H]1C[C@@H](c3ccco3)N2O1
InChIInChI=1S/C14H12ClNO2/c15-10-3-4-12-9(6-10)7-11-8-13(16(12)18-11)14-2-1-5-17-14/h1-6,11,13H,7-8H2/t11-,13+/m1/s1
InChIKeyMHXBZJLXWDHZQU-YPMHNXCESA-N
MW261.71 g/mol
LogP3.74
Rot. Bonds1

About (9R,11S)-5-chloro-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

(9R,11S)-5-chloro-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 118712865) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is (9R,11S)-5-chloro-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name(9R,11S)-5-chloro-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
PubChem CID118712865
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name(9R,11S)-5-chloro-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESClc1ccc2c(c1)C[C@@H]1C[C@@H](c3ccco3)N2O1
InChIInChI=1S/C14H12ClNO2/c15-10-3-4-12-9(6-10)7-11-8-13(16(12)18-11)14-2-1-5-17-14/h1-6,11,13H,7-8H2/t11-,13+/m1/s1
InChIKeyMHXBZJLXWDHZQU-YPMHNXCESA-N
XLogP3.74
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (9R,11S)-5-chloro-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene with MolForge

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

Launch Full Analysis

Related Compounds

1-[8-chloro-4-(furan-2-yl)-2,3,3a,9b-tetrahydrofuro[3,2-c]quinolin-5(4H)-yl]ethanone
CID 4300623
8-Chloro-4-furan-2-yl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline
CID 648369
(3aS,4S,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 1085710
(2S,4R)-7-chloro-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 118712890
(9R,11S)-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 118712862
(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-(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
(9R,11S)-5-fluoro-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 118712868
(9R,11S)-11-(furan-2-yl)-5-(trifluoromethoxy)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 118712870
5-Fluoro-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 123529190

Frequently Asked Questions

What is the IUPAC name of (9R,11S)-5-chloro-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of (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) is (9R,11S)-5-chloro-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for (9R,11S)-5-chloro-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for (9R,11S)-5-chloro-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is Clc1ccc2c(c1)C[C@@H]1C[C@@H](c3ccco3)N2O1.
What is the InChIKey of (9R,11S)-5-chloro-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is MHXBZJLXWDHZQU-YPMHNXCESA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-10-3-4-12-9(6-10)7-11-8-13(16(12)18-11)14-2-1-5-17-14/h1-6,11,13H,7-8H2/t11-,13+/m1/s1.
What are the key properties of (9R,11S)-5-chloro-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
(9R,11S)-5-chloro-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 261.71 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,11S)-5-chloro-11-(furan-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 118712865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).