(2Z)-6-bromo-2-(6-bromo-3-oxo-1H-inden-2-ylidene)-1H-indol-3-one

C17H9Br2NO2 — CID 148619088

IUPAC(2Z)-6-bromo-2-(6-bromo-3-oxo-1H-inden-2-ylidene)-1H-indol-3-one
SMILESO=C1/C(=C2\Nc3cc(Br)ccc3C2=O)Cc2cc(Br)ccc21
InChIInChI=1S/C17H9Br2NO2/c18-9-1-3-11-8(5-9)6-13(16(11)21)15-17(22)12-4-2-10(19)7-14(12)20-15/h1-5,7,20H,6H2/b15-13-
InChIKeyNFXFRLFBFHOFFP-SQFISAMPSA-N
MW419.07 g/mol
LogP4.51
Rot. Bonds

About (2Z)-6-bromo-2-(6-bromo-3-oxo-1H-inden-2-ylidene)-1H-indol-3-one

(2Z)-6-bromo-2-(6-bromo-3-oxo-1H-inden-2-ylidene)-1H-indol-3-one (PubChem CID 148619088) has the molecular formula C17H9Br2NO2 and a molecular weight of 419.07 g/mol. Its IUPAC name is (2Z)-6-bromo-2-(6-bromo-3-oxo-1H-inden-2-ylidene)-1H-indol-3-one.

Molecular Properties

Compound Name(2Z)-6-bromo-2-(6-bromo-3-oxo-1H-inden-2-ylidene)-1H-indol-3-one
PubChem CID148619088
Molecular FormulaC17H9Br2NO2
Molecular Weight419.07 g/mol
Exact Mass416.90
IUPAC Name(2Z)-6-bromo-2-(6-bromo-3-oxo-1H-inden-2-ylidene)-1H-indol-3-one
SMILESO=C1/C(=C2\Nc3cc(Br)ccc3C2=O)Cc2cc(Br)ccc21
InChIInChI=1S/C17H9Br2NO2/c18-9-1-3-11-8(5-9)6-13(16(11)21)15-17(22)12-4-2-10(19)7-14(12)20-15/h1-5,7,20H,6H2/b15-13-
InChIKeyNFXFRLFBFHOFFP-SQFISAMPSA-N
XLogP4.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.07
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 22220919
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CID 58074036
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(3R)-6-bromospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
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CID 118958026

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-bromo-2-(6-bromo-3-oxo-1H-inden-2-ylidene)-1H-indol-3-one?
The IUPAC name of (2Z)-6-bromo-2-(6-bromo-3-oxo-1H-inden-2-ylidene)-1H-indol-3-one (CID 148619088) is (2Z)-6-bromo-2-(6-bromo-3-oxo-1H-inden-2-ylidene)-1H-indol-3-one.
What is the SMILES notation for (2Z)-6-bromo-2-(6-bromo-3-oxo-1H-inden-2-ylidene)-1H-indol-3-one?
The canonical SMILES for (2Z)-6-bromo-2-(6-bromo-3-oxo-1H-inden-2-ylidene)-1H-indol-3-one is O=C1/C(=C2\Nc3cc(Br)ccc3C2=O)Cc2cc(Br)ccc21.
What is the InChIKey of (2Z)-6-bromo-2-(6-bromo-3-oxo-1H-inden-2-ylidene)-1H-indol-3-one?
The InChIKey is NFXFRLFBFHOFFP-SQFISAMPSA-N. The full InChI is InChI=1S/C17H9Br2NO2/c18-9-1-3-11-8(5-9)6-13(16(11)21)15-17(22)12-4-2-10(19)7-14(12)20-15/h1-5,7,20H,6H2/b15-13-.
What are the key properties of (2Z)-6-bromo-2-(6-bromo-3-oxo-1H-inden-2-ylidene)-1H-indol-3-one?
(2Z)-6-bromo-2-(6-bromo-3-oxo-1H-inden-2-ylidene)-1H-indol-3-one has a molecular weight of 419.07 g/mol, XLogP of 4.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-bromo-2-(6-bromo-3-oxo-1H-inden-2-ylidene)-1H-indol-3-one is sourced from PubChem (CID 148619088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).