methyl-(7-oxo-1a,2-dihydro-1H-cyclopropa[c]indol-3-yl)borinic acid

C10H12BNO2 — CID 59962428

IUPACmethyl-(7-oxo-1a,2-dihydro-1H-cyclopropa[c]indol-3-yl)borinic acid
SMILESCB(O)N1CC2CC23C(=O)C=CC=C13
InChIInChI=1S/C10H12BNO2/c1-11(14)12-6-7-5-10(7)8(12)3-2-4-9(10)13/h2-4,7,14H,5-6H2,1H3
InChIKeyORKLVXNLRMSHND-UHFFFAOYSA-N
MW189.02 g/mol
LogP0.44
Rot. Bonds1

About methyl-(7-oxo-1a,2-dihydro-1H-cyclopropa[c]indol-3-yl)borinic acid

methyl-(7-oxo-1a,2-dihydro-1H-cyclopropa[c]indol-3-yl)borinic acid (PubChem CID 59962428) has the molecular formula C10H12BNO2 and a molecular weight of 189.02 g/mol. Its IUPAC name is methyl-(7-oxo-1a,2-dihydro-1H-cyclopropa[c]indol-3-yl)borinic acid.

Molecular Properties

Compound Namemethyl-(7-oxo-1a,2-dihydro-1H-cyclopropa[c]indol-3-yl)borinic acid
PubChem CID59962428
Molecular FormulaC10H12BNO2
Molecular Weight189.02 g/mol
Exact Mass189.10
IUPAC Namemethyl-(7-oxo-1a,2-dihydro-1H-cyclopropa[c]indol-3-yl)borinic acid
SMILESCB(O)N1CC2CC23C(=O)C=CC=C13
InChIInChI=1S/C10H12BNO2/c1-11(14)12-6-7-5-10(7)8(12)3-2-4-9(10)13/h2-4,7,14H,5-6H2,1H3
InChIKeyORKLVXNLRMSHND-UHFFFAOYSA-N
XLogP0.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.02
LogP ≤ 50.44
H-Bond Donors ≤ 51
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-(7-oxo-1a,2-dihydro-1H-cyclopropa[c]indol-3-yl)borinic acid?
The IUPAC name of methyl-(7-oxo-1a,2-dihydro-1H-cyclopropa[c]indol-3-yl)borinic acid (CID 59962428) is methyl-(7-oxo-1a,2-dihydro-1H-cyclopropa[c]indol-3-yl)borinic acid.
What is the SMILES notation for methyl-(7-oxo-1a,2-dihydro-1H-cyclopropa[c]indol-3-yl)borinic acid?
The canonical SMILES for methyl-(7-oxo-1a,2-dihydro-1H-cyclopropa[c]indol-3-yl)borinic acid is CB(O)N1CC2CC23C(=O)C=CC=C13.
What is the InChIKey of methyl-(7-oxo-1a,2-dihydro-1H-cyclopropa[c]indol-3-yl)borinic acid?
The InChIKey is ORKLVXNLRMSHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BNO2/c1-11(14)12-6-7-5-10(7)8(12)3-2-4-9(10)13/h2-4,7,14H,5-6H2,1H3.
What are the key properties of methyl-(7-oxo-1a,2-dihydro-1H-cyclopropa[c]indol-3-yl)borinic acid?
methyl-(7-oxo-1a,2-dihydro-1H-cyclopropa[c]indol-3-yl)borinic acid has a molecular weight of 189.02 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(7-oxo-1a,2-dihydro-1H-cyclopropa[c]indol-3-yl)borinic acid is sourced from PubChem (CID 59962428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).