(2R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione

C13H23NO3Si — CID 54115482

IUPAC(2R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2CCC(=O)N2C1=O
InChIInChI=1S/C13H23NO3Si/c1-13(2,3)18(4,5)17-10-8-9-6-7-11(15)14(9)12(10)16/h9-10H,6-8H2,1-5H3/t9-,10+/m0/s1
InChIKeyNKASNSRVDVDUGB-VHSXEESVSA-N
MW269.42 g/mol
LogP2.30
Rot. Bonds2

About (2R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione

(2R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione (PubChem CID 54115482) has the molecular formula C13H23NO3Si and a molecular weight of 269.42 g/mol. Its IUPAC name is (2R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione.

Molecular Properties

Compound Name(2R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione
PubChem CID54115482
Molecular FormulaC13H23NO3Si
Molecular Weight269.42 g/mol
Exact Mass269.14
IUPAC Name(2R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2CCC(=O)N2C1=O
InChIInChI=1S/C13H23NO3Si/c1-13(2,3)18(4,5)17-10-8-9-6-7-11(15)14(9)12(10)16/h9-10H,6-8H2,1-5H3/t9-,10+/m0/s1
InChIKeyNKASNSRVDVDUGB-VHSXEESVSA-N
XLogP2.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 52.30
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione?
The IUPAC name of (2R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione (CID 54115482) is (2R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione.
What is the SMILES notation for (2R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione?
The canonical SMILES for (2R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2CCC(=O)N2C1=O.
What is the InChIKey of (2R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione?
The InChIKey is NKASNSRVDVDUGB-VHSXEESVSA-N. The full InChI is InChI=1S/C13H23NO3Si/c1-13(2,3)18(4,5)17-10-8-9-6-7-11(15)14(9)12(10)16/h9-10H,6-8H2,1-5H3/t9-,10+/m0/s1.
What are the key properties of (2R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione?
(2R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione has a molecular weight of 269.42 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione is sourced from PubChem (CID 54115482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).