1-pyridin-4-yl-3-(1-trimethylsilyloxycyclopentyl)prop-2-yn-1-one

C16H21NO2Si — CID 59354815

IUPAC1-pyridin-4-yl-3-(1-trimethylsilyloxycyclopentyl)prop-2-yn-1-one
SMILESC[Si](C)(C)OC1(C#CC(=O)c2ccncc2)CCCC1
InChIInChI=1S/C16H21NO2Si/c1-20(2,3)19-16(9-4-5-10-16)11-6-15(18)14-7-12-17-13-8-14/h7-8,12-13H,4-5,9-10H2,1-3H3
InChIKeyKDGYQWJQOJCABX-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.43
Rot. Bonds3

About 1-pyridin-4-yl-3-(1-trimethylsilyloxycyclopentyl)prop-2-yn-1-one

1-pyridin-4-yl-3-(1-trimethylsilyloxycyclopentyl)prop-2-yn-1-one (PubChem CID 59354815) has the molecular formula C16H21NO2Si and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-pyridin-4-yl-3-(1-trimethylsilyloxycyclopentyl)prop-2-yn-1-one.

Molecular Properties

Compound Name1-pyridin-4-yl-3-(1-trimethylsilyloxycyclopentyl)prop-2-yn-1-one
PubChem CID59354815
Molecular FormulaC16H21NO2Si
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-pyridin-4-yl-3-(1-trimethylsilyloxycyclopentyl)prop-2-yn-1-one
SMILESC[Si](C)(C)OC1(C#CC(=O)c2ccncc2)CCCC1
InChIInChI=1S/C16H21NO2Si/c1-20(2,3)19-16(9-4-5-10-16)11-6-15(18)14-7-12-17-13-8-14/h7-8,12-13H,4-5,9-10H2,1-3H3
InChIKeyKDGYQWJQOJCABX-UHFFFAOYSA-N
XLogP3.43
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-3-(1-trimethylsilyloxycyclopentyl)prop-2-yn-1-one?
The IUPAC name of 1-pyridin-4-yl-3-(1-trimethylsilyloxycyclopentyl)prop-2-yn-1-one (CID 59354815) is 1-pyridin-4-yl-3-(1-trimethylsilyloxycyclopentyl)prop-2-yn-1-one.
What is the SMILES notation for 1-pyridin-4-yl-3-(1-trimethylsilyloxycyclopentyl)prop-2-yn-1-one?
The canonical SMILES for 1-pyridin-4-yl-3-(1-trimethylsilyloxycyclopentyl)prop-2-yn-1-one is C[Si](C)(C)OC1(C#CC(=O)c2ccncc2)CCCC1.
What is the InChIKey of 1-pyridin-4-yl-3-(1-trimethylsilyloxycyclopentyl)prop-2-yn-1-one?
The InChIKey is KDGYQWJQOJCABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2Si/c1-20(2,3)19-16(9-4-5-10-16)11-6-15(18)14-7-12-17-13-8-14/h7-8,12-13H,4-5,9-10H2,1-3H3.
What are the key properties of 1-pyridin-4-yl-3-(1-trimethylsilyloxycyclopentyl)prop-2-yn-1-one?
1-pyridin-4-yl-3-(1-trimethylsilyloxycyclopentyl)prop-2-yn-1-one has a molecular weight of 287.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-3-(1-trimethylsilyloxycyclopentyl)prop-2-yn-1-one is sourced from PubChem (CID 59354815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).