(1R,2R,6S,7S)-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C15H13NO2 — CID 739400

IUPAC(1R,2R,6S,7S)-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C15H13NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h1-7,9-10,12-13H,8H2/t9-,10+,12+,13-
InChIKeyGAONUEUNHBLHPP-QZHINBJYSA-N
MW239.27 g/mol
LogP2.00
Rot. Bonds1

About (1R,2R,6S,7S)-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

(1R,2R,6S,7S)-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 739400) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (1R,2R,6S,7S)-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name(1R,2R,6S,7S)-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID739400
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(1R,2R,6S,7S)-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C15H13NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h1-7,9-10,12-13H,8H2/t9-,10+,12+,13-
InChIKeyGAONUEUNHBLHPP-QZHINBJYSA-N
XLogP2.00
TPSA37.38 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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (1R,2R,6S,7S)-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione 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

Stk246934
CID 300678
4-Naphthalen-2-yl-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-ene-3,5-dione
CID 3094951
1-Phenyl-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865487
2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-4-methyl-N-phenylpentanamide
CID 2967437
2-(3,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 652536
(2S,6R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 11438217
(2S,6R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 44388963
2-(phenylamino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2831237
4-(1-Naphthyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
CID 3321745
2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 5096714
2-(4-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 653789
2-(3-chloro-4-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2732286

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,7S)-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of (1R,2R,6S,7S)-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 739400) is (1R,2R,6S,7S)-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for (1R,2R,6S,7S)-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for (1R,2R,6S,7S)-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1R,2R,6S,7S)-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is GAONUEUNHBLHPP-QZHINBJYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h1-7,9-10,12-13H,8H2/t9-,10+,12+,13-.
What are the key properties of (1R,2R,6S,7S)-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
(1R,2R,6S,7S)-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 239.27 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,7S)-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 739400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).