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

C15H15NO2 — CID 134943649

IUPAC(1R,2S,5S,6R,7S)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1[C@@H]2[C@@H]([C@@H]3C=C[C@H]2C3)[C@H](O)N1c1ccccc1
InChIInChI=1S/C15H15NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h1-7,9-10,12-14,17H,8H2/t9-,10+,12-,13+,14+/m1/s1
InChIKeyWFTXRMMIKBALMM-UVHGVLLISA-N
MW241.29 g/mol
LogP1.79
Rot. Bonds1

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

(1R,2S,5S,6R,7S)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 134943649) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (1R,2S,5S,6R,7S)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1R,2S,5S,6R,7S)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID134943649
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(1R,2S,5S,6R,7S)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1[C@@H]2[C@@H]([C@@H]3C=C[C@H]2C3)[C@H](O)N1c1ccccc1
InChIInChI=1S/C15H15NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h1-7,9-10,12-14,17H,8H2/t9-,10+,12-,13+,14+/m1/s1
InChIKeyWFTXRMMIKBALMM-UVHGVLLISA-N
XLogP1.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,5S,6R,7R)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]decan-3-one
CID 134943666
4-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-6-(3-hydroxy-5-oxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-1,3,5-triphenyl-1,3,5,2,4,6-triazatriborinan-2-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 144725444
ethane;4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 91323879
4-(4-anilinophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 17126477
4-phenyl-4,5-diazatricyclo[6.2.1.02,7]undec-9-ene-3,6-dione
CID 604683
(1R,2S,6R,7S)-4-[3-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 99723273
(1R,2S,6S,7R)-4-[3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98118776
(1R,2S,6S,7R)-4-(4-phenoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98119270
(1R,2R,6R,7R)-4-(4-phenyldiazenylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124907864
(1R,2S,6R,7S)-4-[2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98281826
(1R,2S,6R,7R)-4-[2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124715069
4-phenyl-4-azatricyclo[6.2.1.02,7]undec-9-en-3-one
CID 172820140

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,6R,7S)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1R,2S,5S,6R,7S)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one (CID 134943649) is (1R,2S,5S,6R,7S)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1R,2S,5S,6R,7S)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1R,2S,5S,6R,7S)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one is O=C1[C@@H]2[C@@H]([C@@H]3C=C[C@H]2C3)[C@H](O)N1c1ccccc1.
What is the InChIKey of (1R,2S,5S,6R,7S)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is WFTXRMMIKBALMM-UVHGVLLISA-N. The full InChI is InChI=1S/C15H15NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h1-7,9-10,12-14,17H,8H2/t9-,10+,12-,13+,14+/m1/s1.
What are the key properties of (1R,2S,5S,6R,7S)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one?
(1R,2S,5S,6R,7S)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 241.29 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,6R,7S)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 134943649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).