(1R,2R,6S,7S)-4-phenyl-10-[(E)-3-phenylprop-2-enylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C24H19NO2 — CID 15318732

IUPAC(1R,2R,6S,7S)-4-phenyl-10-[(E)-3-phenylprop-2-enylidene]-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]2/C1=C\C=C\c1ccccc1
InChIInChI=1S/C24H19NO2/c26-23-21-19-14-15-20(18(19)13-7-10-16-8-3-1-4-9-16)22(21)24(27)25(23)17-11-5-2-6-12-17/h1-15,19-22H/b10-7+,18-13-/t19-,20+,21+,22-/m0/s1
InChIKeyNSLYMKJTPDOPQC-ANBVUDNLSA-N
MW353.42 g/mol
LogP4.25
Rot. Bonds3

About (1R,2R,6S,7S)-4-phenyl-10-[(E)-3-phenylprop-2-enylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

(1R,2R,6S,7S)-4-phenyl-10-[(E)-3-phenylprop-2-enylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 15318732) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is (1R,2R,6S,7S)-4-phenyl-10-[(E)-3-phenylprop-2-enylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name(1R,2R,6S,7S)-4-phenyl-10-[(E)-3-phenylprop-2-enylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID15318732
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name(1R,2R,6S,7S)-4-phenyl-10-[(E)-3-phenylprop-2-enylidene]-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]2/C1=C\C=C\c1ccccc1
InChIInChI=1S/C24H19NO2/c26-23-21-19-14-15-20(18(19)13-7-10-16-8-3-1-4-9-16)22(21)24(27)25(23)17-11-5-2-6-12-17/h1-15,19-22H/b10-7+,18-13-/t19-,20+,21+,22-/m0/s1
InChIKeyNSLYMKJTPDOPQC-ANBVUDNLSA-N
XLogP4.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.25
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'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,7S)-4-phenyl-10-[(E)-3-phenylprop-2-enylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of (1R,2R,6S,7S)-4-phenyl-10-[(E)-3-phenylprop-2-enylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 15318732) is (1R,2R,6S,7S)-4-phenyl-10-[(E)-3-phenylprop-2-enylidene]-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-10-[(E)-3-phenylprop-2-enylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for (1R,2R,6S,7S)-4-phenyl-10-[(E)-3-phenylprop-2-enylidene]-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]2/C1=C\C=C\c1ccccc1.
What is the InChIKey of (1R,2R,6S,7S)-4-phenyl-10-[(E)-3-phenylprop-2-enylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is NSLYMKJTPDOPQC-ANBVUDNLSA-N. The full InChI is InChI=1S/C24H19NO2/c26-23-21-19-14-15-20(18(19)13-7-10-16-8-3-1-4-9-16)22(21)24(27)25(23)17-11-5-2-6-12-17/h1-15,19-22H/b10-7+,18-13-/t19-,20+,21+,22-/m0/s1.
What are the key properties of (1R,2R,6S,7S)-4-phenyl-10-[(E)-3-phenylprop-2-enylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
(1R,2R,6S,7S)-4-phenyl-10-[(E)-3-phenylprop-2-enylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 353.42 g/mol, XLogP of 4.25, 3 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-10-[(E)-3-phenylprop-2-enylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 15318732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).