[4-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]phenyl]-trimethylsilane

C17H28N2Si — CID 103438232

IUPAC[4-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(CN2C[C@@H]3CCCN[C@@H]3C2)cc1
InChIInChI=1S/C17H28N2Si/c1-20(2,3)16-8-6-14(7-9-16)11-19-12-15-5-4-10-18-17(15)13-19/h6-9,15,17-18H,4-5,10-13H2,1-3H3/t15-,17+/m0/s1
InChIKeyPZFYVTJWBUTPCM-DOTOQJQBSA-N
MW288.51 g/mol
LogP2.42
Rot. Bonds3

About [4-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]phenyl]-trimethylsilane

[4-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]phenyl]-trimethylsilane (PubChem CID 103438232) has the molecular formula C17H28N2Si and a molecular weight of 288.51 g/mol. Its IUPAC name is [4-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]phenyl]-trimethylsilane
PubChem CID103438232
Molecular FormulaC17H28N2Si
Molecular Weight288.51 g/mol
Exact Mass288.20
IUPAC Name[4-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(CN2C[C@@H]3CCCN[C@@H]3C2)cc1
InChIInChI=1S/C17H28N2Si/c1-20(2,3)16-8-6-14(7-9-16)11-19-12-15-5-4-10-18-17(15)13-19/h6-9,15,17-18H,4-5,10-13H2,1-3H3/t15-,17+/m0/s1
InChIKeyPZFYVTJWBUTPCM-DOTOQJQBSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.51
LogP ≤ 52.42
H-Bond Donors ≤ 51
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 [4-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]phenyl]-trimethylsilane (CID 103438232) is [4-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(CN2C[C@@H]3CCCN[C@@H]3C2)cc1.
What is the InChIKey of [4-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]phenyl]-trimethylsilane?
The InChIKey is PZFYVTJWBUTPCM-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H28N2Si/c1-20(2,3)16-8-6-14(7-9-16)11-19-12-15-5-4-10-18-17(15)13-19/h6-9,15,17-18H,4-5,10-13H2,1-3H3/t15-,17+/m0/s1.
What are the key properties of [4-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]phenyl]-trimethylsilane?
[4-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]phenyl]-trimethylsilane has a molecular weight of 288.51 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]phenyl]-trimethylsilane is sourced from PubChem (CID 103438232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).