3-nitroso-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one

C20H24N4O3Si — CID 87925267

IUPAC3-nitroso-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one
SMILESC[Si](C)(C)CCOCN1C(=O)C2(Cc3cc(N=O)cnc3C2)c2cccnc21
InChIInChI=1S/C20H24N4O3Si/c1-28(2,3)8-7-27-13-24-18-16(5-4-6-21-18)20(19(24)25)10-14-9-15(23-26)12-22-17(14)11-20/h4-6,9,12H,7-8,10-11,13H2,1-3H3
InChIKeyGQLKEZWHCIJXPA-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.57
Rot. Bonds6

About 3-nitroso-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one

3-nitroso-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one (PubChem CID 87925267) has the molecular formula C20H24N4O3Si and a molecular weight of 396.52 g/mol. Its IUPAC name is 3-nitroso-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one.

Molecular Properties

Compound Name3-nitroso-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one
PubChem CID87925267
Molecular FormulaC20H24N4O3Si
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name3-nitroso-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one
SMILESC[Si](C)(C)CCOCN1C(=O)C2(Cc3cc(N=O)cnc3C2)c2cccnc21
InChIInChI=1S/C20H24N4O3Si/c1-28(2,3)8-7-27-13-24-18-16(5-4-6-21-18)20(19(24)25)10-14-9-15(23-26)12-22-17(14)11-20/h4-6,9,12H,7-8,10-11,13H2,1-3H3
InChIKeyGQLKEZWHCIJXPA-UHFFFAOYSA-N
XLogP3.57
TPSA84.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-nitroso-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one?
The IUPAC name of 3-nitroso-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one (CID 87925267) is 3-nitroso-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one.
What is the SMILES notation for 3-nitroso-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one?
The canonical SMILES for 3-nitroso-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one is C[Si](C)(C)CCOCN1C(=O)C2(Cc3cc(N=O)cnc3C2)c2cccnc21.
What is the InChIKey of 3-nitroso-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one?
The InChIKey is GQLKEZWHCIJXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3Si/c1-28(2,3)8-7-27-13-24-18-16(5-4-6-21-18)20(19(24)25)10-14-9-15(23-26)12-22-17(14)11-20/h4-6,9,12H,7-8,10-11,13H2,1-3H3.
What are the key properties of 3-nitroso-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one?
3-nitroso-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one has a molecular weight of 396.52 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitroso-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one is sourced from PubChem (CID 87925267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).