methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid

C13H17BN2O2 — CID 59564965

IUPACmethyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid
SMILESCB(O)N1CCCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C13H17BN2O2/c1-14(18)16-8-4-7-13(9-16)10-5-2-3-6-11(10)15-12(13)17/h2-3,5-6,18H,4,7-9H2,1H3,(H,15,17)
InChIKeyOVVIQCFYGDWQJN-UHFFFAOYSA-N
MW244.10 g/mol
LogP1.08
Rot. Bonds1

About methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid

methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid (PubChem CID 59564965) has the molecular formula C13H17BN2O2 and a molecular weight of 244.10 g/mol. Its IUPAC name is methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid.

Molecular Properties

Compound Namemethyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid
PubChem CID59564965
Molecular FormulaC13H17BN2O2
Molecular Weight244.10 g/mol
Exact Mass244.14
IUPAC Namemethyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid
SMILESCB(O)N1CCCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C13H17BN2O2/c1-14(18)16-8-4-7-13(9-16)10-5-2-3-6-11(10)15-12(13)17/h2-3,5-6,18H,4,7-9H2,1H3,(H,15,17)
InChIKeyOVVIQCFYGDWQJN-UHFFFAOYSA-N
XLogP1.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.10
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid?
The IUPAC name of methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid (CID 59564965) is methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid.
What is the SMILES notation for methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid?
The canonical SMILES for methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid is CB(O)N1CCCC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid?
The InChIKey is OVVIQCFYGDWQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BN2O2/c1-14(18)16-8-4-7-13(9-16)10-5-2-3-6-11(10)15-12(13)17/h2-3,5-6,18H,4,7-9H2,1H3,(H,15,17).
What are the key properties of methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid?
methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid has a molecular weight of 244.10 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid is sourced from PubChem (CID 59564965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).