6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine

C14H18BNO2 — CID 134691862

IUPAC6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine
SMILESCC1(C)OB(c2ccc3cccn3c2)OC1(C)C
InChIInChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-7-8-12-6-5-9-16(12)10-11/h5-10H,1-4H3
InChIKeyAOQWVFDGXPOBBC-UHFFFAOYSA-N
MW243.12 g/mol
LogP2.24
Rot. Bonds1

About 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine (PubChem CID 134691862) has the molecular formula C14H18BNO2 and a molecular weight of 243.12 g/mol. Its IUPAC name is 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine.

Molecular Properties

Compound Name6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine
PubChem CID134691862
Molecular FormulaC14H18BNO2
Molecular Weight243.12 g/mol
Exact Mass243.14
IUPAC Name6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine
SMILESCC1(C)OB(c2ccc3cccn3c2)OC1(C)C
InChIInChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-7-8-12-6-5-9-16(12)10-11/h5-10H,1-4H3
InChIKeyAOQWVFDGXPOBBC-UHFFFAOYSA-N
XLogP2.24
TPSA22.87 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.12
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine-7-carbonitrile
CID 170986513
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyrimidine
CID 90224392
1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-a]imidazole
CID 170986505
1-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
CID 11231398
ethane;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane
CID 142330584
1-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
CID 163719105
1-ethylsulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
CID 53217231
2-pyrrol-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 53398362
2-[4-[bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 175003958
methanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 158702164
2-(4-deuteriophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138376291
4,4,5,5-tetramethyl-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-2-yl]-1,3,2-dioxaborolane
CID 58174852

Frequently Asked Questions

What is the IUPAC name of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine?
The IUPAC name of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine (CID 134691862) is 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine.
What is the SMILES notation for 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine?
The canonical SMILES for 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine is CC1(C)OB(c2ccc3cccn3c2)OC1(C)C.
What is the InChIKey of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine?
The InChIKey is AOQWVFDGXPOBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-7-8-12-6-5-9-16(12)10-11/h5-10H,1-4H3.
What are the key properties of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine?
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine has a molecular weight of 243.12 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine is sourced from PubChem (CID 134691862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).