[(1R,2Z,8S)-2-benzylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]oxy-triethylsilane

C20H31NOSi — CID 177449692

IUPAC[(1R,2Z,8S)-2-benzylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1/C(=C\c2ccccc2)CN2CCC[C@@H]12
InChIInChI=1S/C20H31NOSi/c1-4-23(5-2,6-3)22-20-18(15-17-11-8-7-9-12-17)16-21-14-10-13-19(20)21/h7-9,11-12,15,19-20H,4-6,10,13-14,16H2,1-3H3/b18-15-/t19-,20+/m0/s1
InChIKeyRLRCMPIMTVZUAR-VZCOUXDVSA-N
MW329.56 g/mol
LogP4.94
Rot. Bonds6

About [(1R,2Z,8S)-2-benzylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]oxy-triethylsilane

[(1R,2Z,8S)-2-benzylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]oxy-triethylsilane (PubChem CID 177449692) has the molecular formula C20H31NOSi and a molecular weight of 329.56 g/mol. Its IUPAC name is [(1R,2Z,8S)-2-benzylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(1R,2Z,8S)-2-benzylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]oxy-triethylsilane
PubChem CID177449692
Molecular FormulaC20H31NOSi
Molecular Weight329.56 g/mol
Exact Mass329.22
IUPAC Name[(1R,2Z,8S)-2-benzylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1/C(=C\c2ccccc2)CN2CCC[C@@H]12
InChIInChI=1S/C20H31NOSi/c1-4-23(5-2,6-3)22-20-18(15-17-11-8-7-9-12-17)16-21-14-10-13-19(20)21/h7-9,11-12,15,19-20H,4-6,10,13-14,16H2,1-3H3/b18-15-/t19-,20+/m0/s1
InChIKeyRLRCMPIMTVZUAR-VZCOUXDVSA-N
XLogP4.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 54.94
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 [(1R,2Z,8S)-2-benzylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]oxy-triethylsilane?
The IUPAC name of [(1R,2Z,8S)-2-benzylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]oxy-triethylsilane (CID 177449692) is [(1R,2Z,8S)-2-benzylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]oxy-triethylsilane.
What is the SMILES notation for [(1R,2Z,8S)-2-benzylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]oxy-triethylsilane?
The canonical SMILES for [(1R,2Z,8S)-2-benzylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@@H]1/C(=C\c2ccccc2)CN2CCC[C@@H]12.
What is the InChIKey of [(1R,2Z,8S)-2-benzylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]oxy-triethylsilane?
The InChIKey is RLRCMPIMTVZUAR-VZCOUXDVSA-N. The full InChI is InChI=1S/C20H31NOSi/c1-4-23(5-2,6-3)22-20-18(15-17-11-8-7-9-12-17)16-21-14-10-13-19(20)21/h7-9,11-12,15,19-20H,4-6,10,13-14,16H2,1-3H3/b18-15-/t19-,20+/m0/s1.
What are the key properties of [(1R,2Z,8S)-2-benzylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]oxy-triethylsilane?
[(1R,2Z,8S)-2-benzylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]oxy-triethylsilane has a molecular weight of 329.56 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2Z,8S)-2-benzylidene-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]oxy-triethylsilane is sourced from PubChem (CID 177449692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).