[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone

C15H13NO2 — CID 129470935

IUPAC[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1[C@H]2CC[C@H]1c1ccccc12
InChIInChI=1S/C15H13NO2/c17-15(14-6-3-9-18-14)16-12-7-8-13(16)11-5-2-1-4-10(11)12/h1-6,9,12-13H,7-8H2/t12-,13-/m0/s1
InChIKeyYVRMCXGCQZSFAG-STQMWFEESA-N
MW239.27 g/mol
LogP3.31
Rot. Bonds1

About [(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone

[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone (PubChem CID 129470935) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is [(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone
PubChem CID129470935
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1[C@H]2CC[C@H]1c1ccccc12
InChIInChI=1S/C15H13NO2/c17-15(14-6-3-9-18-14)16-12-7-8-13(16)11-5-2-1-4-10(11)12/h1-6,9,12-13H,7-8H2/t12-,13-/m0/s1
InChIKeyYVRMCXGCQZSFAG-STQMWFEESA-N
XLogP3.31
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone 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

(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
(4,4-dioxo-1,3,3a,8b-tetrahydro-[1]benzothiolo[2,3-c]pyrrol-2-yl)-(furan-2-yl)methanone
CID 131673195
(2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone
CID 63911769
furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455
furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42710493
furan-2-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185227
furan-2-yl-[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 16669260
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone
CID 110293024
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate
CID 170936704
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
furan-2-yl-[(3R)-3-(2-hydroxyphenyl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 97079923

Frequently Asked Questions

What is the IUPAC name of [(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone?
The IUPAC name of [(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone (CID 129470935) is [(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1[C@H]2CC[C@H]1c1ccccc12.
What is the InChIKey of [(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone?
The InChIKey is YVRMCXGCQZSFAG-STQMWFEESA-N. The full InChI is InChI=1S/C15H13NO2/c17-15(14-6-3-9-18-14)16-12-7-8-13(16)11-5-2-1-4-10(11)12/h1-6,9,12-13H,7-8H2/t12-,13-/m0/s1.
What are the key properties of [(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone?
[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone has a molecular weight of 239.27 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 129470935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).