(1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane

C20H31NOSi — CID 10980405

IUPAC(1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
SMILESC=C1CN(Cc2ccccc2)C(CO[Si](C)(C)C(C)(C)C)C1=C
InChIInChI=1S/C20H31NOSi/c1-16-13-21(14-18-11-9-8-10-12-18)19(17(16)2)15-22-23(6,7)20(3,4)5/h8-12,19H,1-2,13-15H2,3-7H3
InChIKeyKPONEYDYGFOUMI-UHFFFAOYSA-N
MW329.56 g/mol
LogP5.01
Rot. Bonds5

About (1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane

(1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane (PubChem CID 10980405) has the molecular formula C20H31NOSi and a molecular weight of 329.56 g/mol. Its IUPAC name is (1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
PubChem CID10980405
Molecular FormulaC20H31NOSi
Molecular Weight329.56 g/mol
Exact Mass329.22
IUPAC Name(1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
SMILESC=C1CN(Cc2ccccc2)C(CO[Si](C)(C)C(C)(C)C)C1=C
InChIInChI=1S/C20H31NOSi/c1-16-13-21(14-18-11-9-8-10-12-18)19(17(16)2)15-22-23(6,7)20(3,4)5/h8-12,19H,1-2,13-15H2,3-7H3
InChIKeyKPONEYDYGFOUMI-UHFFFAOYSA-N
XLogP5.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.56
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 44631754
[(2R,3S)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 12030475
1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one
CID 123771378
[(2R,3R)-1-benzyl-3-(trifluoromethyl)aziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 23243951
tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane
CID 69177639
[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane
CID 131749610
(4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one
CID 15408396
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 15895933
(1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane
CID 152571898
[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 139674628
[(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane
CID 15415065
tert-butyl (4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-2-carboxylate
CID 90987722

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane (CID 10980405) is (1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane is C=C1CN(Cc2ccccc2)C(CO[Si](C)(C)C(C)(C)C)C1=C.
What is the InChIKey of (1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is KPONEYDYGFOUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NOSi/c1-16-13-21(14-18-11-9-8-10-12-18)19(17(16)2)15-22-23(6,7)20(3,4)5/h8-12,19H,1-2,13-15H2,3-7H3.
What are the key properties of (1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane?
(1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 329.56 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10980405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).