8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C15H29NO2Si — CID 140761470

IUPAC8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC1CC2(CO[Si](C)(C)C(C)(C)C)CCCN2C1=O
InChIInChI=1S/C15H29NO2Si/c1-12-10-15(8-7-9-16(15)13(12)17)11-18-19(5,6)14(2,3)4/h12H,7-11H2,1-6H3
InChIKeyYMQUSBBRCBLVJM-UHFFFAOYSA-N
MW283.49 g/mol
LogP3.41
Rot. Bonds3

About 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 140761470) has the molecular formula C15H29NO2Si and a molecular weight of 283.49 g/mol. Its IUPAC name is 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID140761470
Molecular FormulaC15H29NO2Si
Molecular Weight283.49 g/mol
Exact Mass283.20
IUPAC Name8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC1CC2(CO[Si](C)(C)C(C)(C)C)CCCN2C1=O
InChIInChI=1S/C15H29NO2Si/c1-12-10-15(8-7-9-16(15)13(12)17)11-18-19(5,6)14(2,3)4/h12H,7-11H2,1-6H3
InChIKeyYMQUSBBRCBLVJM-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 140761470) is 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CC1CC2(CO[Si](C)(C)C(C)(C)C)CCCN2C1=O.
What is the InChIKey of 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is YMQUSBBRCBLVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2Si/c1-12-10-15(8-7-9-16(15)13(12)17)11-18-19(5,6)14(2,3)4/h12H,7-11H2,1-6H3.
What are the key properties of 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 283.49 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 140761470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).