5-[2-(boriran-1-yl)ethoxy]-1-propan-2-yl-3H-indol-2-one

C15H20BNO2 — CID 174094189

IUPAC5-[2-(boriran-1-yl)ethoxy]-1-propan-2-yl-3H-indol-2-one
SMILESCC(C)N1C(=O)Cc2cc(OCCB3CC3)ccc21
InChIInChI=1S/C15H20BNO2/c1-11(2)17-14-4-3-13(9-12(14)10-15(17)18)19-8-7-16-5-6-16/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyFJNUBDIODFBKNG-UHFFFAOYSA-N
MW257.14 g/mol
LogP2.87
Rot. Bonds5

About 5-[2-(boriran-1-yl)ethoxy]-1-propan-2-yl-3H-indol-2-one

5-[2-(boriran-1-yl)ethoxy]-1-propan-2-yl-3H-indol-2-one (PubChem CID 174094189) has the molecular formula C15H20BNO2 and a molecular weight of 257.14 g/mol. Its IUPAC name is 5-[2-(boriran-1-yl)ethoxy]-1-propan-2-yl-3H-indol-2-one.

Molecular Properties

Compound Name5-[2-(boriran-1-yl)ethoxy]-1-propan-2-yl-3H-indol-2-one
PubChem CID174094189
Molecular FormulaC15H20BNO2
Molecular Weight257.14 g/mol
Exact Mass257.16
IUPAC Name5-[2-(boriran-1-yl)ethoxy]-1-propan-2-yl-3H-indol-2-one
SMILESCC(C)N1C(=O)Cc2cc(OCCB3CC3)ccc21
InChIInChI=1S/C15H20BNO2/c1-11(2)17-14-4-3-13(9-12(14)10-15(17)18)19-8-7-16-5-6-16/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyFJNUBDIODFBKNG-UHFFFAOYSA-N
XLogP2.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.14
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-1'-[2-[(2-oxo-1-propan-2-yl-3H-indol-5-yl)oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-5-carbonitrile
CID 168997797
5-(2-bromoethoxy)-1-methyl-3H-indol-2-one
CID 168997638
6-fluoro-1-propan-2-yl-3H-indol-2-one
CID 117206076
5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one
CID 117040206
1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one
CID 176690662
5-(aminomethyl)-1-(1-amino-3-methylbutan-2-yl)-3H-indol-2-one
CID 115138116
6-[2-(methylamino)ethyl]-1-propan-2-yl-3,4-dihydroquinolin-2-one
CID 117044162
1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea
CID 30375820
6-[4-[4-(4-methylpentanoyl)piperazin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 55922389
1-(1-amino-2-methylpropan-2-yl)-5-methoxy-3H-indol-2-one
CID 67943811
2-[5-(1-amino-2-methylpropan-2-yl)-2-oxo-3H-indol-1-yl]propanenitrile
CID 115130652
1-[3-(3-aminophenoxy)propyl]-5-ethyl-3H-indol-2-one
CID 84758464

Frequently Asked Questions

What is the IUPAC name of 5-[2-(boriran-1-yl)ethoxy]-1-propan-2-yl-3H-indol-2-one?
The IUPAC name of 5-[2-(boriran-1-yl)ethoxy]-1-propan-2-yl-3H-indol-2-one (CID 174094189) is 5-[2-(boriran-1-yl)ethoxy]-1-propan-2-yl-3H-indol-2-one.
What is the SMILES notation for 5-[2-(boriran-1-yl)ethoxy]-1-propan-2-yl-3H-indol-2-one?
The canonical SMILES for 5-[2-(boriran-1-yl)ethoxy]-1-propan-2-yl-3H-indol-2-one is CC(C)N1C(=O)Cc2cc(OCCB3CC3)ccc21.
What is the InChIKey of 5-[2-(boriran-1-yl)ethoxy]-1-propan-2-yl-3H-indol-2-one?
The InChIKey is FJNUBDIODFBKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BNO2/c1-11(2)17-14-4-3-13(9-12(14)10-15(17)18)19-8-7-16-5-6-16/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 5-[2-(boriran-1-yl)ethoxy]-1-propan-2-yl-3H-indol-2-one?
5-[2-(boriran-1-yl)ethoxy]-1-propan-2-yl-3H-indol-2-one has a molecular weight of 257.14 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(boriran-1-yl)ethoxy]-1-propan-2-yl-3H-indol-2-one is sourced from PubChem (CID 174094189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).