(1R,2S,6R,7R)-10,10-dimethyl-4-phenyl-8-trimethylsilyloxy-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione

C21H27NO3Si — CID 101036153

IUPAC(1R,2S,6R,7R)-10,10-dimethyl-4-phenyl-8-trimethylsilyloxy-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
SMILESCC1(C)C[C@H]2C(O[Si](C)(C)C)=C[C@@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12
InChIInChI=1S/C21H27NO3Si/c1-21(2)12-14-16(25-26(3,4)5)11-15(21)18-17(14)19(23)22(20(18)24)13-9-7-6-8-10-13/h6-11,14-15,17-18H,12H2,1-5H3/t14-,15+,17+,18-/m0/s1
InChIKeyRXBCJNSXXXALPE-IDCNUPLLSA-N
MW369.54 g/mol
LogP4.20
Rot. Bonds3

About (1R,2S,6R,7R)-10,10-dimethyl-4-phenyl-8-trimethylsilyloxy-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione

(1R,2S,6R,7R)-10,10-dimethyl-4-phenyl-8-trimethylsilyloxy-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione (PubChem CID 101036153) has the molecular formula C21H27NO3Si and a molecular weight of 369.54 g/mol. Its IUPAC name is (1R,2S,6R,7R)-10,10-dimethyl-4-phenyl-8-trimethylsilyloxy-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione.

Molecular Properties

Compound Name(1R,2S,6R,7R)-10,10-dimethyl-4-phenyl-8-trimethylsilyloxy-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
PubChem CID101036153
Molecular FormulaC21H27NO3Si
Molecular Weight369.54 g/mol
Exact Mass369.18
IUPAC Name(1R,2S,6R,7R)-10,10-dimethyl-4-phenyl-8-trimethylsilyloxy-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
SMILESCC1(C)C[C@H]2C(O[Si](C)(C)C)=C[C@@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12
InChIInChI=1S/C21H27NO3Si/c1-21(2)12-14-16(25-26(3,4)5)11-15(21)18-17(14)19(23)22(20(18)24)13-9-7-6-8-10-13/h6-11,14-15,17-18H,12H2,1-5H3/t14-,15+,17+,18-/m0/s1
InChIKeyRXBCJNSXXXALPE-IDCNUPLLSA-N
XLogP4.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2S,6R,7R)-10,10-dimethyl-4-phenyl-8-trimethylsilyloxy-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione with MolForge

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Related Compounds

(1R,2R,6R,7S)-4-phenyl-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone
CID 98343423
(1aR,2aR,5aS,6aS)-1a,6a-dimethyl-4-phenyl-2,2a,5a,6-tetrahydrooxireno[2,3-f]isoindole-3,5-dione
CID 10564037
(3aR,4S,7S,7aS)-2,4,7-triphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 100871293
(1S,7R)-4-phenylspiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 11630349
(3aR,4R,7R,9R,9aR,9bS)-7-methoxy-7-methyl-2,4,9-triphenyl-3a,4,8,9,9a,9b-hexahydropyrano[3,2-e]isoindole-1,3-dione
CID 100988259
(1S,2S,3R,7S,11S,12S,16R)-9-[tert-butyl(dimethyl)silyl]oxy-5,14-diphenyl-17-oxa-5,14-diazapentacyclo[9.5.1.02,10.03,7.012,16]heptadec-9-ene-4,6,13,15-tetrone
CID 10840801
(3aS,4R,7S,7aS)-7-methyl-2-phenyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione
CID 11903873
(1R,2S,3R,6S,7R,8R,9R,13S)-3-tert-butyl-15-methoxy-6-methyl-11-phenyl-11-azapentacyclo[6.5.2.02,6.02,7.09,13]pentadec-14-ene-5,10,12-trione
CID 23281323
(3aR,4S,7S,7aS)-4,7-dimethyl-2-phenyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 99721737
4-phenyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 162787664
(3aS,9aR,9bR)-9,9-dimethyl-2-phenyl-4,6,7,8,9a,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-1,3-dione
CID 15305445
(4R,5R,6S,7S)-5,6-dihydroxy-2-phenyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 11572630

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7R)-10,10-dimethyl-4-phenyl-8-trimethylsilyloxy-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione?
The IUPAC name of (1R,2S,6R,7R)-10,10-dimethyl-4-phenyl-8-trimethylsilyloxy-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione (CID 101036153) is (1R,2S,6R,7R)-10,10-dimethyl-4-phenyl-8-trimethylsilyloxy-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione.
What is the SMILES notation for (1R,2S,6R,7R)-10,10-dimethyl-4-phenyl-8-trimethylsilyloxy-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione?
The canonical SMILES for (1R,2S,6R,7R)-10,10-dimethyl-4-phenyl-8-trimethylsilyloxy-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione is CC1(C)C[C@H]2C(O[Si](C)(C)C)=C[C@@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12.
What is the InChIKey of (1R,2S,6R,7R)-10,10-dimethyl-4-phenyl-8-trimethylsilyloxy-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione?
The InChIKey is RXBCJNSXXXALPE-IDCNUPLLSA-N. The full InChI is InChI=1S/C21H27NO3Si/c1-21(2)12-14-16(25-26(3,4)5)11-15(21)18-17(14)19(23)22(20(18)24)13-9-7-6-8-10-13/h6-11,14-15,17-18H,12H2,1-5H3/t14-,15+,17+,18-/m0/s1.
What are the key properties of (1R,2S,6R,7R)-10,10-dimethyl-4-phenyl-8-trimethylsilyloxy-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione?
(1R,2S,6R,7R)-10,10-dimethyl-4-phenyl-8-trimethylsilyloxy-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione has a molecular weight of 369.54 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7R)-10,10-dimethyl-4-phenyl-8-trimethylsilyloxy-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione is sourced from PubChem (CID 101036153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).