5-bromo-2'-(phenoxymethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one

C17H14BrNO2 — CID 15956440

IUPAC5-bromo-2'-(phenoxymethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Br)cc2C12CC2COc1ccccc1
InChIInChI=1S/C17H14BrNO2/c18-12-6-7-15-14(8-12)17(16(20)19-15)9-11(17)10-21-13-4-2-1-3-5-13/h1-8,11H,9-10H2,(H,19,20)
InChIKeyPDEPHVGNADLLMU-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.74
Rot. Bonds3

About 5-bromo-2'-(phenoxymethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one

5-bromo-2'-(phenoxymethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956440) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 5-bromo-2'-(phenoxymethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name5-bromo-2'-(phenoxymethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956440
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name5-bromo-2'-(phenoxymethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Br)cc2C12CC2COc1ccccc1
InChIInChI=1S/C17H14BrNO2/c18-12-6-7-15-14(8-12)17(16(20)19-15)9-11(17)10-21-13-4-2-1-3-5-13/h1-8,11H,9-10H2,(H,19,20)
InChIKeyPDEPHVGNADLLMU-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2'-(phenoxymethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 5-bromo-2'-(phenoxymethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956440) is 5-bromo-2'-(phenoxymethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 5-bromo-2'-(phenoxymethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 5-bromo-2'-(phenoxymethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(Br)cc2C12CC2COc1ccccc1.
What is the InChIKey of 5-bromo-2'-(phenoxymethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is PDEPHVGNADLLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c18-12-6-7-15-14(8-12)17(16(20)19-15)9-11(17)10-21-13-4-2-1-3-5-13/h1-8,11H,9-10H2,(H,19,20).
What are the key properties of 5-bromo-2'-(phenoxymethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
5-bromo-2'-(phenoxymethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 344.21 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2'-(phenoxymethyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).