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

C14H22BNO3 — CID 58070386

IUPAC1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCC(C)n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O
InChIInChI=1S/C14H22BNO3/c1-10(2)16-9-11(7-8-12(16)17)15-18-13(3,4)14(5,6)19-15/h7-10H,1-6H3
InChIKeyMPMZBWLBVFEODR-UHFFFAOYSA-N
MW263.15 g/mol
LogP1.73
Rot. Bonds2

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

1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (PubChem CID 58070386) has the molecular formula C14H22BNO3 and a molecular weight of 263.15 g/mol. Its IUPAC name is 1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
PubChem CID58070386
Molecular FormulaC14H22BNO3
Molecular Weight263.15 g/mol
Exact Mass263.17
IUPAC Name1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCC(C)n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O
InChIInChI=1S/C14H22BNO3/c1-10(2)16-9-11(7-8-12(16)17)15-18-13(3,4)14(5,6)19-15/h7-10H,1-6H3
InChIKeyMPMZBWLBVFEODR-UHFFFAOYSA-N
XLogP1.73
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.15
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The IUPAC name of 1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (CID 58070386) is 1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.
What is the SMILES notation for 1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The canonical SMILES for 1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.
What is the InChIKey of 1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The InChIKey is MPMZBWLBVFEODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BNO3/c1-10(2)16-9-11(7-8-12(16)17)15-18-13(3,4)14(5,6)19-15/h7-10H,1-6H3.
What are the key properties of 1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one has a molecular weight of 263.15 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is sourced from PubChem (CID 58070386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).