(1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione

C20H17NO2 — CID 164667716

IUPAC(1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione
SMILESO=C1[C@@H]2[C@H]3CCc4ccccc4[C@H]3[C@@H]2C(=O)N1c1ccccc1
InChIInChI=1S/C20H17NO2/c22-19-17-15-11-10-12-6-4-5-9-14(12)16(15)18(17)20(23)21(19)13-7-2-1-3-8-13/h1-9,15-18H,10-11H2/t15-,16+,17+,18-/m0/s1
InChIKeyQOFPRTWXQSYUHM-MLHJIOFPSA-N
MW303.36 g/mol
LogP3.15
Rot. Bonds1

About (1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione

(1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione (PubChem CID 164667716) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is (1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione.

Molecular Properties

Compound Name(1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione
PubChem CID164667716
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name(1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione
SMILESO=C1[C@@H]2[C@H]3CCc4ccccc4[C@H]3[C@@H]2C(=O)N1c1ccccc1
InChIInChI=1S/C20H17NO2/c22-19-17-15-11-10-12-6-4-5-9-14(12)16(15)18(17)20(23)21(19)13-7-2-1-3-8-13/h1-9,15-18H,10-11H2/t15-,16+,17+,18-/m0/s1
InChIKeyQOFPRTWXQSYUHM-MLHJIOFPSA-N
XLogP3.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 164667723
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CID 98518522
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-cyclopropyl-1,2,4-triazole
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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
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
3-chloro-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 19920996
(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
(1R,14R,15R,19S)-17-phenyl-20-oxa-17-azapentacyclo[12.5.1.01,10.02,7.015,19]icosa-2,4,6-triene-13,16,18-trione
CID 101157264
(1R,2R,6R,7S)-4-phenyl-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone
CID 98343423

Frequently Asked Questions

What is the IUPAC name of (1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione?
The IUPAC name of (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) is (1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione.
What is the SMILES notation for (1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione?
The canonical SMILES for (1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione is O=C1[C@@H]2[C@H]3CCc4ccccc4[C@H]3[C@@H]2C(=O)N1c1ccccc1.
What is the InChIKey of (1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione?
The InChIKey is QOFPRTWXQSYUHM-MLHJIOFPSA-N. The full InChI is InChI=1S/C20H17NO2/c22-19-17-15-11-10-12-6-4-5-9-14(12)16(15)18(17)20(23)21(19)13-7-2-1-3-8-13/h1-9,15-18H,10-11H2/t15-,16+,17+,18-/m0/s1.
What are the key properties of (1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione?
(1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione has a molecular weight of 303.36 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10S,11R,15S)-13-phenyl-13-azatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6-triene-12,14-dione is sourced from PubChem (CID 164667716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).