(7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one

C20H29NO2Si — CID 101353411

IUPAC(7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one
SMILESCC(C)(C)[Si](C)(C)OC1CC=CCN2C(=O)[C@H](c3ccccc3)[C@@H]12
InChIInChI=1S/C20H29NO2Si/c1-20(2,3)24(4,5)23-16-13-9-10-14-21-18(16)17(19(21)22)15-11-7-6-8-12-15/h6-12,16-18H,13-14H2,1-5H3/t16?,17-,18-/m1/s1
InChIKeyVWRHKVMTCGLLHY-UKKPGEIXSA-N
MW343.54 g/mol
LogP4.33
Rot. Bonds3

About (7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one

(7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one (PubChem CID 101353411) has the molecular formula C20H29NO2Si and a molecular weight of 343.54 g/mol. Its IUPAC name is (7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one.

Molecular Properties

Compound Name(7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one
PubChem CID101353411
Molecular FormulaC20H29NO2Si
Molecular Weight343.54 g/mol
Exact Mass343.20
IUPAC Name(7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one
SMILESCC(C)(C)[Si](C)(C)OC1CC=CCN2C(=O)[C@H](c3ccccc3)[C@@H]12
InChIInChI=1S/C20H29NO2Si/c1-20(2,3)24(4,5)23-16-13-9-10-14-21-18(16)17(19(21)22)15-11-7-6-8-12-15/h6-12,16-18H,13-14H2,1-5H3/t16?,17-,18-/m1/s1
InChIKeyVWRHKVMTCGLLHY-UKKPGEIXSA-N
XLogP4.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7S,8R)-6-hydroxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one
CID 101353409
(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-6-phenyl-1-azabicyclo[3.2.0]heptan-7-one
CID 102412825
tert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane
CID 12061237
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
CID 101383304
(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
CID 89246042
methyl (1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-phenylcyclopentane-1-carboxylate
CID 10521711
2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-amine
CID 76789433
(3aR,7R,9R,9aS,9bS)-7-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,7,8,9,9a,9b-hexahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-6-one
CID 59100084
(3aR,7S,9R,9aS,9bS)-7-benzyl-9-[tert-butyl(dimethyl)silyl]oxyspiro[4,7,8,9,9a,9b-hexahydro-3aH-[1,3]dioxolo[4,5-a]indolizine-2,1'-cyclohexane]-6-one
CID 59100029
(3R,6R,8E,11R)-6-[tert-butyl(dimethyl)silyl]oxy-11-methyl-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
CID 131746039
tert-butyl-[[(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-3,4-dihydro-1H-isochromen-4-yl]oxy]-dimethylsilane
CID 11454213
(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
CID 11102405

Frequently Asked Questions

What is the IUPAC name of (7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one?
The IUPAC name of (7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one (CID 101353411) is (7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one.
What is the SMILES notation for (7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one?
The canonical SMILES for (7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one is CC(C)(C)[Si](C)(C)OC1CC=CCN2C(=O)[C@H](c3ccccc3)[C@@H]12.
What is the InChIKey of (7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one?
The InChIKey is VWRHKVMTCGLLHY-UKKPGEIXSA-N. The full InChI is InChI=1S/C20H29NO2Si/c1-20(2,3)24(4,5)23-16-13-9-10-14-21-18(16)17(19(21)22)15-11-7-6-8-12-15/h6-12,16-18H,13-14H2,1-5H3/t16?,17-,18-/m1/s1.
What are the key properties of (7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one?
(7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one has a molecular weight of 343.54 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-1-azabicyclo[5.2.0]non-3-en-9-one is sourced from PubChem (CID 101353411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).