(6S,7S)-7-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1-azabicyclo[4.2.0]oct-4-en-8-one

C17H29NO2Si — CID 11220537

IUPAC(6S,7S)-7-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1-azabicyclo[4.2.0]oct-4-en-8-one
SMILESC=CC1=CCCN2C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H]12
InChIInChI=1S/C17H29NO2Si/c1-8-13-10-9-11-18-15(13)14(16(18)19)12(2)20-21(6,7)17(3,4)5/h8,10,12,14-15H,1,9,11H2,2-7H3/t12-,14-,15-/m1/s1
InChIKeyPFIOGXHMGVSUDX-BPLDGKMQSA-N
MW307.51 g/mol
LogP3.74
Rot. Bonds4

About (6S,7S)-7-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1-azabicyclo[4.2.0]oct-4-en-8-one

(6S,7S)-7-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1-azabicyclo[4.2.0]oct-4-en-8-one (PubChem CID 11220537) has the molecular formula C17H29NO2Si and a molecular weight of 307.51 g/mol. Its IUPAC name is (6S,7S)-7-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1-azabicyclo[4.2.0]oct-4-en-8-one.

Molecular Properties

Compound Name(6S,7S)-7-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1-azabicyclo[4.2.0]oct-4-en-8-one
PubChem CID11220537
Molecular FormulaC17H29NO2Si
Molecular Weight307.51 g/mol
Exact Mass307.20
IUPAC Name(6S,7S)-7-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1-azabicyclo[4.2.0]oct-4-en-8-one
SMILESC=CC1=CCCN2C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H]12
InChIInChI=1S/C17H29NO2Si/c1-8-13-10-9-11-18-15(13)14(16(18)19)12(2)20-21(6,7)17(3,4)5/h8,10,12,14-15H,1,9,11H2,2-7H3/t12-,14-,15-/m1/s1
InChIKeyPFIOGXHMGVSUDX-BPLDGKMQSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyl-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 177385780
dimethyl (1S,9bS)-1-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1,4,5,5a,8,9b-hexahydroazeto[2,1-a]isoquinoline-6,7-dicarboxylate
CID 11396755
dimethyl (1S,4aR,8bS)-1-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4,4a,7,8b-tetrahydro-1H-azeto[2,1-a]isoindole-5,6-dicarboxylate
CID 101370262
(2S,2aR)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2a,8-dihydro-2H-azeto[2,1-b][1,3]benzoselenazin-1-one
CID 11211631
methyl 2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2,5-dioxopyrrolidin-1-yl)sulfanyl-4-oxoazetidin-1-yl]but-3-enoate
CID 88662950
(7R,8S)-8-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5,9-dioxo-1-azabicyclo[5.2.0]non-2-ene-2-carboxylic acid
CID 67755645
(3S,4R)-1-but-3-en-2-yl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-enylselanylazetidin-2-one
CID 101480983
(3R,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hexa-1,2,4,5-tetraen-3-ylazetidin-2-one
CID 87213583
tert-butyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-prop-2-enylazetidin-1-yl]pent-4-enoate
CID 10550231
(2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal
CID 11069396
(2R)-2-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal
CID 10938209
1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 141372311

Frequently Asked Questions

What is the IUPAC name of (6S,7S)-7-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1-azabicyclo[4.2.0]oct-4-en-8-one?
The IUPAC name of (6S,7S)-7-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1-azabicyclo[4.2.0]oct-4-en-8-one (CID 11220537) is (6S,7S)-7-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1-azabicyclo[4.2.0]oct-4-en-8-one.
What is the SMILES notation for (6S,7S)-7-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1-azabicyclo[4.2.0]oct-4-en-8-one?
The canonical SMILES for (6S,7S)-7-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1-azabicyclo[4.2.0]oct-4-en-8-one is C=CC1=CCCN2C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H]12.
What is the InChIKey of (6S,7S)-7-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1-azabicyclo[4.2.0]oct-4-en-8-one?
The InChIKey is PFIOGXHMGVSUDX-BPLDGKMQSA-N. The full InChI is InChI=1S/C17H29NO2Si/c1-8-13-10-9-11-18-15(13)14(16(18)19)12(2)20-21(6,7)17(3,4)5/h8,10,12,14-15H,1,9,11H2,2-7H3/t12-,14-,15-/m1/s1.
What are the key properties of (6S,7S)-7-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1-azabicyclo[4.2.0]oct-4-en-8-one?
(6S,7S)-7-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1-azabicyclo[4.2.0]oct-4-en-8-one has a molecular weight of 307.51 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-7-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1-azabicyclo[4.2.0]oct-4-en-8-one is sourced from PubChem (CID 11220537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).