(1R,9S,10R,14S)-12-phenyl-12-azatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione

C19H15NO2 — CID 164667723

IUPAC(1R,9S,10R,14S)-12-phenyl-12-azatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione
SMILESO=C1[C@@H]2[C@H]3Cc4ccccc4[C@H]3[C@@H]2C(=O)N1c1ccccc1
InChIInChI=1S/C19H15NO2/c21-18-16-14-10-11-6-4-5-9-13(11)15(14)17(16)19(22)20(18)12-7-2-1-3-8-12/h1-9,14-17H,10H2/t14-,15+,16+,17-/m0/s1
InChIKeyAAMCSPWLRSHNDM-HZMVEIRTSA-N
MW289.33 g/mol
LogP2.76
Rot. Bonds1

About (1R,9S,10R,14S)-12-phenyl-12-azatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione

(1R,9S,10R,14S)-12-phenyl-12-azatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione (PubChem CID 164667723) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is (1R,9S,10R,14S)-12-phenyl-12-azatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione.

Molecular Properties

Compound Name(1R,9S,10R,14S)-12-phenyl-12-azatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione
PubChem CID164667723
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name(1R,9S,10R,14S)-12-phenyl-12-azatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione
SMILESO=C1[C@@H]2[C@H]3Cc4ccccc4[C@H]3[C@@H]2C(=O)N1c1ccccc1
InChIInChI=1S/C19H15NO2/c21-18-16-14-10-11-6-4-5-9-13(11)15(14)17(16)19(22)20(18)12-7-2-1-3-8-12/h1-9,14-17H,10H2/t14-,15+,16+,17-/m0/s1
InChIKeyAAMCSPWLRSHNDM-HZMVEIRTSA-N
XLogP2.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,9S,10R,14S)-12-phenyl-12-azatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-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

(1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione
CID 164667716
(1R,2R,6S,7R,8R,11R)-4-phenyl-4-azatetracyclo[5.4.2.02,6.08,11]tridec-9-ene-3,5-dione
CID 98518522
(1R,2R,6R,7S)-4-phenyl-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone
CID 98343423
16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione
CID 102335192
(1R,2S,6R,7R,8S,10S)-4-phenyl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98119781
(15R,19S)-17-[4-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 9499743
4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 548819
(1S,2R,6S,7R)-4-phenyl-12-oxa-4-azatetracyclo[5.4.1.02,6.08,11]dodecane-3,5-dione
CID 102434281
(3aR,4S,7S,7aS)-2,4,7-triphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 100871293
(1R,9S,15S)-13-methoxytetracyclo[7.6.0.02,7.010,15]pentadeca-2,4,6,12-tetraene-11,14-dione
CID 10083645
4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 162787664
ethane;4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 91323879

Frequently Asked Questions

What is the IUPAC name of (1R,9S,10R,14S)-12-phenyl-12-azatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione?
The IUPAC name of (1R,9S,10R,14S)-12-phenyl-12-azatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione (CID 164667723) is (1R,9S,10R,14S)-12-phenyl-12-azatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione.
What is the SMILES notation for (1R,9S,10R,14S)-12-phenyl-12-azatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione?
The canonical SMILES for (1R,9S,10R,14S)-12-phenyl-12-azatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione is O=C1[C@@H]2[C@H]3Cc4ccccc4[C@H]3[C@@H]2C(=O)N1c1ccccc1.
What is the InChIKey of (1R,9S,10R,14S)-12-phenyl-12-azatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione?
The InChIKey is AAMCSPWLRSHNDM-HZMVEIRTSA-N. The full InChI is InChI=1S/C19H15NO2/c21-18-16-14-10-11-6-4-5-9-13(11)15(14)17(16)19(22)20(18)12-7-2-1-3-8-12/h1-9,14-17H,10H2/t14-,15+,16+,17-/m0/s1.
What are the key properties of (1R,9S,10R,14S)-12-phenyl-12-azatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione?
(1R,9S,10R,14S)-12-phenyl-12-azatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione has a molecular weight of 289.33 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S,10R,14S)-12-phenyl-12-azatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione is sourced from PubChem (CID 164667723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).