1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one

C22H31NO3Si — CID 11485967

IUPAC1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one
SMILESCC1C=CC2=C(COC2=O)N1[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C22H31NO3Si/c1-16-12-13-18-20(14-25-21(18)24)23(16)19(17-10-8-7-9-11-17)15-26-27(5,6)22(2,3)4/h7-13,16,19H,14-15H2,1-6H3/t16?,19-/m0/s1
InChIKeyBALVNCXGAFXMLP-CVMIBEPCSA-N
MW385.58 g/mol
LogP4.82
Rot. Bonds5

About 1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one

1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one (PubChem CID 11485967) has the molecular formula C22H31NO3Si and a molecular weight of 385.58 g/mol. Its IUPAC name is 1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one
PubChem CID11485967
Molecular FormulaC22H31NO3Si
Molecular Weight385.58 g/mol
Exact Mass385.21
IUPAC Name1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one
SMILESCC1C=CC2=C(COC2=O)N1[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C22H31NO3Si/c1-16-12-13-18-20(14-25-21(18)24)23(16)19(17-10-8-7-9-11-17)15-26-27(5,6)22(2,3)4/h7-13,16,19H,14-15H2,1-6H3/t16?,19-/m0/s1
InChIKeyBALVNCXGAFXMLP-CVMIBEPCSA-N
XLogP4.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one?
The IUPAC name of 1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one (CID 11485967) is 1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one.
What is the SMILES notation for 1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one?
The canonical SMILES for 1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one is CC1C=CC2=C(COC2=O)N1[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of 1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one?
The InChIKey is BALVNCXGAFXMLP-CVMIBEPCSA-N. The full InChI is InChI=1S/C22H31NO3Si/c1-16-12-13-18-20(14-25-21(18)24)23(16)19(17-10-8-7-9-11-17)15-26-27(5,6)22(2,3)4/h7-13,16,19H,14-15H2,1-6H3/t16?,19-/m0/s1.
What are the key properties of 1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one?
1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one has a molecular weight of 385.58 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one is sourced from PubChem (CID 11485967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).