3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,7-dihydrocyclopenta[b]pyridin-6-one

C14H18BNO3 — CID 157499306

IUPAC3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,7-dihydrocyclopenta[b]pyridin-6-one
SMILESCC1(C)OB(c2cnc3c(c2)CC(=O)C3)OC1(C)C
InChIInChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)10-5-9-6-11(17)7-12(9)16-8-10/h5,8H,6-7H2,1-4H3
InChIKeyBYFGKPXWPLZSPA-UHFFFAOYSA-N
MW259.11 g/mol
LogP1.05
Rot. Bonds1

About 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,7-dihydrocyclopenta[b]pyridin-6-one

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,7-dihydrocyclopenta[b]pyridin-6-one (PubChem CID 157499306) has the molecular formula C14H18BNO3 and a molecular weight of 259.11 g/mol. Its IUPAC name is 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,7-dihydrocyclopenta[b]pyridin-6-one.

Molecular Properties

Compound Name3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,7-dihydrocyclopenta[b]pyridin-6-one
PubChem CID157499306
Molecular FormulaC14H18BNO3
Molecular Weight259.11 g/mol
Exact Mass259.14
IUPAC Name3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,7-dihydrocyclopenta[b]pyridin-6-one
SMILESCC1(C)OB(c2cnc3c(c2)CC(=O)C3)OC1(C)C
InChIInChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)10-5-9-6-11(17)7-12(9)16-8-10/h5,8H,6-7H2,1-4H3
InChIKeyBYFGKPXWPLZSPA-UHFFFAOYSA-N
XLogP1.05
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,7-dihydrocyclopenta[b]pyridin-6-one with MolForge

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Related Compounds

3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 59535310
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-naphthalen-2-one
CID 58354222
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 53216772
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 137272926
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridine
CID 175653952
2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
CID 59619681
3-methoxy-2-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 140621922
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 171934806
2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide
CID 66781540
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
CID 46739526
1-(3-ethyl-3-hydroxycyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1,8-naphthyridin-2-one
CID 168997116
2-methoxy-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide
CID 67981970

Frequently Asked Questions

What is the IUPAC name of 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,7-dihydrocyclopenta[b]pyridin-6-one?
The IUPAC name of 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,7-dihydrocyclopenta[b]pyridin-6-one (CID 157499306) is 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,7-dihydrocyclopenta[b]pyridin-6-one.
What is the SMILES notation for 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,7-dihydrocyclopenta[b]pyridin-6-one?
The canonical SMILES for 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,7-dihydrocyclopenta[b]pyridin-6-one is CC1(C)OB(c2cnc3c(c2)CC(=O)C3)OC1(C)C.
What is the InChIKey of 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,7-dihydrocyclopenta[b]pyridin-6-one?
The InChIKey is BYFGKPXWPLZSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)10-5-9-6-11(17)7-12(9)16-8-10/h5,8H,6-7H2,1-4H3.
What are the key properties of 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,7-dihydrocyclopenta[b]pyridin-6-one?
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,7-dihydrocyclopenta[b]pyridin-6-one has a molecular weight of 259.11 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,7-dihydrocyclopenta[b]pyridin-6-one is sourced from PubChem (CID 157499306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).