1-butan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

C15H24BNO3 — CID 67481570

IUPAC1-butan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCCC(C)n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O
InChIInChI=1S/C15H24BNO3/c1-7-11(2)17-10-12(8-9-13(17)18)16-19-14(3,4)15(5,6)20-16/h8-11H,7H2,1-6H3
InChIKeyCNFWIAAEBBUUMX-UHFFFAOYSA-N
MW277.17 g/mol
LogP2.12
Rot. Bonds3

About 1-butan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

1-butan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (PubChem CID 67481570) has the molecular formula C15H24BNO3 and a molecular weight of 277.17 g/mol. Its IUPAC name is 1-butan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-butan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
PubChem CID67481570
Molecular FormulaC15H24BNO3
Molecular Weight277.17 g/mol
Exact Mass277.18
IUPAC Name1-butan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCCC(C)n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O
InChIInChI=1S/C15H24BNO3/c1-7-11(2)17-10-12(8-9-13(17)18)16-19-14(3,4)15(5,6)20-16/h8-11H,7H2,1-6H3
InChIKeyCNFWIAAEBBUUMX-UHFFFAOYSA-N
XLogP2.12
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
CID 45480194
1-(Propan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydropyridin-2-one
CID 58070386
1-(2-Methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
CID 66706462
1-Ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydropyridin-2-one
CID 66706599
1,3-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydropyridin-2-one
CID 71270309
1-Isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pyridin-2(1H)-one
CID 72220712
1-Ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-pyridinone
CID 123893605
1,6-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydropyridin-2-one
CID 129317607
1-(1-fluoropropan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
CID 58070459
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one
CID 66706618
1-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
CID 68291429
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-YL)-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one
CID 71015469

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The IUPAC name of 1-butan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (CID 67481570) is 1-butan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.
What is the SMILES notation for 1-butan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The canonical SMILES for 1-butan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is CCC(C)n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.
What is the InChIKey of 1-butan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The InChIKey is CNFWIAAEBBUUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BNO3/c1-7-11(2)17-10-12(8-9-13(17)18)16-19-14(3,4)15(5,6)20-16/h8-11H,7H2,1-6H3.
What are the key properties of 1-butan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
1-butan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one has a molecular weight of 277.17 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is sourced from PubChem (CID 67481570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).