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

C16H26BNO3 — CID 151179568

IUPAC1-pentan-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCCC(CC)n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O
InChIInChI=1S/C16H26BNO3/c1-7-13(8-2)18-11-12(9-10-14(18)19)17-20-15(3,4)16(5,6)21-17/h9-11,13H,7-8H2,1-6H3
InChIKeyNDZTTWDZJXZLKC-UHFFFAOYSA-N
MW291.20 g/mol
LogP2.51
Rot. Bonds4

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

1-pentan-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (PubChem CID 151179568) has the molecular formula C16H26BNO3 and a molecular weight of 291.20 g/mol. Its IUPAC name is 1-pentan-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-pentan-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
PubChem CID151179568
Molecular FormulaC16H26BNO3
Molecular Weight291.20 g/mol
Exact Mass291.20
IUPAC Name1-pentan-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCCC(CC)n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O
InChIInChI=1S/C16H26BNO3/c1-7-13(8-2)18-11-12(9-10-14(18)19)17-20-15(3,4)16(5,6)21-17/h9-11,13H,7-8H2,1-6H3
InChIKeyNDZTTWDZJXZLKC-UHFFFAOYSA-N
XLogP2.51
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 52.51
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-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
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-YL)-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one
CID 71015469
1-(2-Fluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 141674259
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(3,3,3-trifluoropropyl)pyridin-2-one
CID 150802397

Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The IUPAC name of 1-pentan-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (CID 151179568) is 1-pentan-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.
What is the SMILES notation for 1-pentan-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The canonical SMILES for 1-pentan-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is CCC(CC)n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.
What is the InChIKey of 1-pentan-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The InChIKey is NDZTTWDZJXZLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BNO3/c1-7-13(8-2)18-11-12(9-10-14(18)19)17-20-15(3,4)16(5,6)21-17/h9-11,13H,7-8H2,1-6H3.
What are the key properties of 1-pentan-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
1-pentan-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one has a molecular weight of 291.20 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is sourced from PubChem (CID 151179568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).