(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one

C17H23NO2Si — CID 59103613

IUPAC(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(=O)/C1=C/c1ccccn1
InChIInChI=1S/C17H23NO2Si/c1-17(2,3)21(4,5)20-16-10-9-15(19)14(16)12-13-8-6-7-11-18-13/h6-12,16H,1-5H3/b14-12-
InChIKeyVKLNOKNWAMIMEL-OWBHPGMISA-N
MW301.46 g/mol
LogP3.99
Rot. Bonds3

About (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one

(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one (PubChem CID 59103613) has the molecular formula C17H23NO2Si and a molecular weight of 301.46 g/mol. Its IUPAC name is (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one
PubChem CID59103613
Molecular FormulaC17H23NO2Si
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(=O)/C1=C/c1ccccn1
InChIInChI=1S/C17H23NO2Si/c1-17(2,3)21(4,5)20-16-10-9-15(19)14(16)12-13-8-6-7-11-18-13/h6-12,16H,1-5H3/b14-12-
InChIKeyVKLNOKNWAMIMEL-OWBHPGMISA-N
XLogP3.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one?
The IUPAC name of (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one (CID 59103613) is (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one.
What is the SMILES notation for (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one?
The canonical SMILES for (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)OC1C=CC(=O)/C1=C/c1ccccn1.
What is the InChIKey of (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one?
The InChIKey is VKLNOKNWAMIMEL-OWBHPGMISA-N. The full InChI is InChI=1S/C17H23NO2Si/c1-17(2,3)21(4,5)20-16-10-9-15(19)14(16)12-13-8-6-7-11-18-13/h6-12,16H,1-5H3/b14-12-.
What are the key properties of (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one?
(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one has a molecular weight of 301.46 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(pyridin-2-ylmethylidene)cyclopent-2-en-1-one is sourced from PubChem (CID 59103613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).