(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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Related Compounds

(7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one
CID 101353411
(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-6-phenyl-1-azabicyclo[3.2.0]heptan-7-one
CID 102412825
(1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one
CID 98624727
(5S,6R,7R)-7-phenyl-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one
CID 102308620
(3R,4S)-4-cyclohexyl-1,3-diphenylazetidin-2-one
CID 102205609
(1S,2S,8S)-1-ethenyl-2-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 100983279
2-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 143053715
3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one
CID 88502336
(1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one
CID 14284850
1-(4-chlorophenyl)-3,4-diphenylpyrrolidine-2,5-dione
CID 71556473
(3R,4S)-1-methyl-3,4-diphenylazetidin-2-one
CID 122372873
(4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one
CID 170551049

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).