(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

C23H27NO3Si — CID 71713268

IUPAC(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
SMILESC[Si](C)(C[C@@H]1[C@H]2O[C@@H](c3ccccc3)O[C@H]2[C@H]2CCC(=O)N21)c1ccccc1
InChIInChI=1S/C23H27NO3Si/c1-28(2,17-11-7-4-8-12-17)15-19-22-21(18-13-14-20(25)24(18)19)26-23(27-22)16-9-5-3-6-10-16/h3-12,18-19,21-23H,13-15H2,1-2H3/t18-,19-,21+,22-,23+/m1/s1
InChIKeyKPTCRPRTCBARPS-KRQRVDPASA-N
MW393.56 g/mol
LogP3.46
Rot. Bonds4

About (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

(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 (PubChem CID 71713268) has the molecular formula C23H27NO3Si and a molecular weight of 393.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID71713268
Molecular FormulaC23H27NO3Si
Molecular Weight393.56 g/mol
Exact Mass393.18
IUPAC Name(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
SMILESC[Si](C)(C[C@@H]1[C@H]2O[C@@H](c3ccccc3)O[C@H]2[C@H]2CCC(=O)N21)c1ccccc1
InChIInChI=1S/C23H27NO3Si/c1-28(2,17-11-7-4-8-12-17)15-19-22-21(18-13-14-20(25)24(18)19)26-23(27-22)16-9-5-3-6-10-16/h3-12,18-19,21-23H,13-15H2,1-2H3/t18-,19-,21+,22-,23+/m1/s1
InChIKeyKPTCRPRTCBARPS-KRQRVDPASA-N
XLogP3.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[Si](C)(C[C@@H]1[C@H]2O[C@@H](c3ccccc3)O[C@H]2[C@H]2CCC(=O)N21)c1ccccc1.
What is the InChIKey of (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?
The InChIKey is KPTCRPRTCBARPS-KRQRVDPASA-N. The full InChI is InChI=1S/C23H27NO3Si/c1-28(2,17-11-7-4-8-12-17)15-19-22-21(18-13-14-20(25)24(18)19)26-23(27-22)16-9-5-3-6-10-16/h3-12,18-19,21-23H,13-15H2,1-2H3/t18-,19-,21+,22-,23+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 393.56 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 71713268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).