(1R,3S,8R)-3-[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol

C16H25NOSi — CID 135012335

IUPAC(1R,3S,8R)-3-[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol
SMILESC[Si](C)(C[C@@H]1C[C@@H](O)[C@H]2CCCN12)c1ccccc1
InChIInChI=1S/C16H25NOSi/c1-19(2,14-7-4-3-5-8-14)12-13-11-16(18)15-9-6-10-17(13)15/h3-5,7-8,13,15-16,18H,6,9-12H2,1-2H3/t13-,15+,16+/m0/s1
InChIKeyKQNPRRQXPXRBJQ-NUEKZKHPSA-N
MW275.47 g/mol
LogP2.20
Rot. Bonds3

About (1R,3S,8R)-3-[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol

(1R,3S,8R)-3-[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol (PubChem CID 135012335) has the molecular formula C16H25NOSi and a molecular weight of 275.47 g/mol. Its IUPAC name is (1R,3S,8R)-3-[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol.

Molecular Properties

Compound Name(1R,3S,8R)-3-[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol
PubChem CID135012335
Molecular FormulaC16H25NOSi
Molecular Weight275.47 g/mol
Exact Mass275.17
IUPAC Name(1R,3S,8R)-3-[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol
SMILESC[Si](C)(C[C@@H]1C[C@@H](O)[C@H]2CCCN12)c1ccccc1
InChIInChI=1S/C16H25NOSi/c1-19(2,14-7-4-3-5-8-14)12-13-11-16(18)15-9-6-10-17(13)15/h3-5,7-8,13,15-16,18H,6,9-12H2,1-2H3/t13-,15+,16+/m0/s1
InChIKeyKQNPRRQXPXRBJQ-NUEKZKHPSA-N
XLogP2.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,3S,5R,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 44128177
[(1S,2R,3S,5R,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-1-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy-triethylsilane
CID 135012334
[(1S,7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazol-1-yl]methyl-methyl-diphenylsilane
CID 89938664
[(2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]pyrrolidin-1-yl]thallium
CID 149156932
(1S)-2-[methyl(diphenyl)silyl]-1-[(2S)-1-methylpyrrolidin-2-yl]ethanol
CID 152797697
(1R)-2-[methyl(diphenyl)silyl]-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol
CID 160877366
(2S)-1-[methyl(diphenyl)silyl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol
CID 163893873
((2R,7AS)-2-((tert-butyldiphenylsilyl)oxy)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 164534550
((2S,7AR)-2-((tert-butyldiphenylsilyl)oxy)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 164535102
[(3S,3aS)-1,3,3a,4,5,6-hexahydropyrrolo[1,2-c][1,3,2]oxazaphosphol-3-yl]methyl-dimethyl-phenylsilane
CID 165089497
(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-ol
CID 166137182
tert-butyl-[[(2S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-diphenylsilane
CID 169225382

Frequently Asked Questions

What is the IUPAC name of (1R,3S,8R)-3-[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol?
The IUPAC name of (1R,3S,8R)-3-[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol (CID 135012335) is (1R,3S,8R)-3-[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol.
What is the SMILES notation for (1R,3S,8R)-3-[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol?
The canonical SMILES for (1R,3S,8R)-3-[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol is C[Si](C)(C[C@@H]1C[C@@H](O)[C@H]2CCCN12)c1ccccc1.
What is the InChIKey of (1R,3S,8R)-3-[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol?
The InChIKey is KQNPRRQXPXRBJQ-NUEKZKHPSA-N. The full InChI is InChI=1S/C16H25NOSi/c1-19(2,14-7-4-3-5-8-14)12-13-11-16(18)15-9-6-10-17(13)15/h3-5,7-8,13,15-16,18H,6,9-12H2,1-2H3/t13-,15+,16+/m0/s1.
What are the key properties of (1R,3S,8R)-3-[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol?
(1R,3S,8R)-3-[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol has a molecular weight of 275.47 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,8R)-3-[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol is sourced from PubChem (CID 135012335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).