(7S,8R)-6-hydroxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one

C14H15NO2 — CID 101353409

IUPAC(7S,8R)-6-hydroxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one
SMILESO=C1[C@H](c2ccccc2)[C@H]2C(O)CC=CCN12
InChIInChI=1S/C14H15NO2/c16-11-8-4-5-9-15-13(11)12(14(15)17)10-6-2-1-3-7-10/h1-7,11-13,16H,8-9H2/t11?,12-,13-/m1/s1
InChIKeyYQTQRVLSEHUTGI-VFRRUGBOSA-N
MW229.28 g/mol
LogP1.30
Rot. Bonds1

About (7S,8R)-6-hydroxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one

(7S,8R)-6-hydroxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one (PubChem CID 101353409) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (7S,8R)-6-hydroxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one.

Molecular Properties

Compound Name(7S,8R)-6-hydroxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one
PubChem CID101353409
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(7S,8R)-6-hydroxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one
SMILESO=C1[C@H](c2ccccc2)[C@H]2C(O)CC=CCN12
InChIInChI=1S/C14H15NO2/c16-11-8-4-5-9-15-13(11)12(14(15)17)10-6-2-1-3-7-10/h1-7,11-13,16H,8-9H2/t11?,12-,13-/m1/s1
InChIKeyYQTQRVLSEHUTGI-VFRRUGBOSA-N
XLogP1.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7S,8R)-6-hydroxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one?
The IUPAC name of (7S,8R)-6-hydroxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one (CID 101353409) is (7S,8R)-6-hydroxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one.
What is the SMILES notation for (7S,8R)-6-hydroxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one?
The canonical SMILES for (7S,8R)-6-hydroxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one is O=C1[C@H](c2ccccc2)[C@H]2C(O)CC=CCN12.
What is the InChIKey of (7S,8R)-6-hydroxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one?
The InChIKey is YQTQRVLSEHUTGI-VFRRUGBOSA-N. The full InChI is InChI=1S/C14H15NO2/c16-11-8-4-5-9-15-13(11)12(14(15)17)10-6-2-1-3-7-10/h1-7,11-13,16H,8-9H2/t11?,12-,13-/m1/s1.
What are the key properties of (7S,8R)-6-hydroxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one?
(7S,8R)-6-hydroxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one has a molecular weight of 229.28 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-6-hydroxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one is sourced from PubChem (CID 101353409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).