[(2S,3aR,4S,6R,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane

C24H31NO2Si — CID 135023084

IUPAC[(2S,3aR,4S,6R,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane
SMILESC[C@@H]1CC[C@@H]2[C@@H]3O[C@H](c4ccccc4)O[C@@H]3[C@@H](C[Si](C)(C)c3ccccc3)N12
InChIInChI=1S/C24H31NO2Si/c1-17-14-15-20-22-23(27-24(26-22)18-10-6-4-7-11-18)21(25(17)20)16-28(2,3)19-12-8-5-9-13-19/h4-13,17,20-24H,14-16H2,1-3H3/t17-,20-,21-,22+,23-,24+/m1/s1
InChIKeyAJZPJGFVLWCUTE-FMYUWVRYSA-N
MW393.60 g/mol
LogP4.32
Rot. Bonds4

About [(2S,3aR,4S,6R,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane

[(2S,3aR,4S,6R,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane (PubChem CID 135023084) has the molecular formula C24H31NO2Si and a molecular weight of 393.60 g/mol. Its IUPAC name is [(2S,3aR,4S,6R,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(2S,3aR,4S,6R,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane
PubChem CID135023084
Molecular FormulaC24H31NO2Si
Molecular Weight393.60 g/mol
Exact Mass393.21
IUPAC Name[(2S,3aR,4S,6R,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane
SMILESC[C@@H]1CC[C@@H]2[C@@H]3O[C@H](c4ccccc4)O[C@@H]3[C@@H](C[Si](C)(C)c3ccccc3)N12
InChIInChI=1S/C24H31NO2Si/c1-17-14-15-20-22-23(27-24(26-22)18-10-6-4-7-11-18)21(25(17)20)16-28(2,3)19-12-8-5-9-13-19/h4-13,17,20-24H,14-16H2,1-3H3/t17-,20-,21-,22+,23-,24+/m1/s1
InChIKeyAJZPJGFVLWCUTE-FMYUWVRYSA-N
XLogP4.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.60
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2S,3aR,4S,6R,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane with MolForge

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Related Compounds

(2S,3aR,4S,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one
CID 71713268
(2S,3aR,4S,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizine-6-carbonitrile
CID 102140748
(2S,3aR,4R,8aR,8bS)-2-phenyl-4-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizine-6-carbonitrile
CID 102140749
(1S,2S,4R,5R,8S)-5-methyl-4-oxido-1,2-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium
CID 135013548
[(2S,3aR,4R,6R,8aR,8bS)-2-phenyl-4-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-6-yl]methyl-dimethyl-phenylsilane
CID 135022499
(2S,3aR,4R,6S,8aR,8bS)-6-methyl-2-phenyl-4-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizine
CID 135022500
[(2S,3aR,4S,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane
CID 135023027
(2S,3aR,4S,8aR,8bS)-4-[[dimethyl(phenyl)silyl]methyl]-6-methyl-2-phenyl-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizine-6-carbonitrile
CID 135023083
(3aR,4R,6R,7R,8R,8aS,8bS)-2,2,4-trimethyl-7-phenylmethoxy-6-(phenylmethoxymethyl)-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-8-ol
CID 168303354
Ouaqcrvqqhyvpu-rccfbdprsa-
CID 21671446
benzyl (1S,2R,6R,8S,9R)-4,4-dimethyl-9-phenylmethoxy-3,5,7-trioxa-11-azatricyclo[6.3.0.02,6]undecane-11-carboxylate
CID 13870659
benzyl (1S,2R,6R,8S,9S)-4,4-dimethyl-9-phenylmethoxy-3,5,7-trioxa-11-azatricyclo[6.3.0.02,6]undecane-11-carboxylate
CID 57551890

Frequently Asked Questions

What is the IUPAC name of [(2S,3aR,4S,6R,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane?
The IUPAC name of [(2S,3aR,4S,6R,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane (CID 135023084) is [(2S,3aR,4S,6R,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane.
What is the SMILES notation for [(2S,3aR,4S,6R,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane?
The canonical SMILES for [(2S,3aR,4S,6R,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane is C[C@@H]1CC[C@@H]2[C@@H]3O[C@H](c4ccccc4)O[C@@H]3[C@@H](C[Si](C)(C)c3ccccc3)N12.
What is the InChIKey of [(2S,3aR,4S,6R,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane?
The InChIKey is AJZPJGFVLWCUTE-FMYUWVRYSA-N. The full InChI is InChI=1S/C24H31NO2Si/c1-17-14-15-20-22-23(27-24(26-22)18-10-6-4-7-11-18)21(25(17)20)16-28(2,3)19-12-8-5-9-13-19/h4-13,17,20-24H,14-16H2,1-3H3/t17-,20-,21-,22+,23-,24+/m1/s1.
What are the key properties of [(2S,3aR,4S,6R,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane?
[(2S,3aR,4S,6R,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane has a molecular weight of 393.60 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aR,4S,6R,8aR,8bS)-6-methyl-2-phenyl-4,6,7,8,8a,8b-hexahydro-3aH-[1,3]dioxolo[4,5-a]pyrrolizin-4-yl]methyl-dimethyl-phenylsilane is sourced from PubChem (CID 135023084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).