10b-(4-trimethylsilylbut-3-ynyl)-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6-one

C19H25NOSi — CID 10892320

IUPAC10b-(4-trimethylsilylbut-3-ynyl)-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6-one
SMILESC[Si](C)(C)C#CCCC12CCCCN1C(=O)c1ccccc12
InChIInChI=1S/C19H25NOSi/c1-22(2,3)15-9-7-13-19-12-6-8-14-20(19)18(21)16-10-4-5-11-17(16)19/h4-5,10-11H,6-8,12-14H2,1-3H3
InChIKeyFZGPWDASTLQSHV-UHFFFAOYSA-N
MW311.50 g/mol
LogP4.18
Rot. Bonds2

About 10b-(4-trimethylsilylbut-3-ynyl)-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6-one

10b-(4-trimethylsilylbut-3-ynyl)-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6-one (PubChem CID 10892320) has the molecular formula C19H25NOSi and a molecular weight of 311.50 g/mol. Its IUPAC name is 10b-(4-trimethylsilylbut-3-ynyl)-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6-one.

Molecular Properties

Compound Name10b-(4-trimethylsilylbut-3-ynyl)-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6-one
PubChem CID10892320
Molecular FormulaC19H25NOSi
Molecular Weight311.50 g/mol
Exact Mass311.17
IUPAC Name10b-(4-trimethylsilylbut-3-ynyl)-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6-one
SMILESC[Si](C)(C)C#CCCC12CCCCN1C(=O)c1ccccc12
InChIInChI=1S/C19H25NOSi/c1-22(2,3)15-9-7-13-19-12-6-8-14-20(19)18(21)16-10-4-5-11-17(16)19/h4-5,10-11H,6-8,12-14H2,1-3H3
InChIKeyFZGPWDASTLQSHV-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10b-(4-trimethylsilylbut-3-ynyl)-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6-one?
The IUPAC name of 10b-(4-trimethylsilylbut-3-ynyl)-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6-one (CID 10892320) is 10b-(4-trimethylsilylbut-3-ynyl)-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6-one.
What is the SMILES notation for 10b-(4-trimethylsilylbut-3-ynyl)-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6-one?
The canonical SMILES for 10b-(4-trimethylsilylbut-3-ynyl)-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6-one is C[Si](C)(C)C#CCCC12CCCCN1C(=O)c1ccccc12.
What is the InChIKey of 10b-(4-trimethylsilylbut-3-ynyl)-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6-one?
The InChIKey is FZGPWDASTLQSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NOSi/c1-22(2,3)15-9-7-13-19-12-6-8-14-20(19)18(21)16-10-4-5-11-17(16)19/h4-5,10-11H,6-8,12-14H2,1-3H3.
What are the key properties of 10b-(4-trimethylsilylbut-3-ynyl)-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6-one?
10b-(4-trimethylsilylbut-3-ynyl)-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6-one has a molecular weight of 311.50 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-(4-trimethylsilylbut-3-ynyl)-1,2,3,4-tetrahydropyrido[2,1-a]isoindol-6-one is sourced from PubChem (CID 10892320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).