5,7-dibromo-1-(3-phenylprop-2-enyl)indole-2,3-dione

C17H11Br2NO2 — CID 69166659

IUPAC5,7-dibromo-1-(3-phenylprop-2-enyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC=Cc2ccccc2)c2c(Br)cc(Br)cc21
InChIInChI=1S/C17H11Br2NO2/c18-12-9-13-15(14(19)10-12)20(17(22)16(13)21)8-4-7-11-5-2-1-3-6-11/h1-7,9-10H,8H2
InChIKeyRCOOJYSKHVRBDN-UHFFFAOYSA-N
MW421.09 g/mol
LogP4.45
Rot. Bonds3

About 5,7-dibromo-1-(3-phenylprop-2-enyl)indole-2,3-dione

5,7-dibromo-1-(3-phenylprop-2-enyl)indole-2,3-dione (PubChem CID 69166659) has the molecular formula C17H11Br2NO2 and a molecular weight of 421.09 g/mol. Its IUPAC name is 5,7-dibromo-1-(3-phenylprop-2-enyl)indole-2,3-dione.

Molecular Properties

Compound Name5,7-dibromo-1-(3-phenylprop-2-enyl)indole-2,3-dione
PubChem CID69166659
Molecular FormulaC17H11Br2NO2
Molecular Weight421.09 g/mol
Exact Mass418.92
IUPAC Name5,7-dibromo-1-(3-phenylprop-2-enyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC=Cc2ccccc2)c2c(Br)cc(Br)cc21
InChIInChI=1S/C17H11Br2NO2/c18-12-9-13-15(14(19)10-12)20(17(22)16(13)21)8-4-7-11-5-2-1-3-6-11/h1-7,9-10H,8H2
InChIKeyRCOOJYSKHVRBDN-UHFFFAOYSA-N
XLogP4.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.09
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,7-dibromo-1-[[4-(bromomethyl)phenyl]methyl]indole-2,3-dione
CID 56659300
7-bromo-1-but-2-enyl-5-fluoroindole-2,3-dione
CID 61357103
5,7-dibromo-1-octylindole-2,3-dione
CID 4730303
methyl 2-(5,7-dibromo-2,3-dioxoindol-1-yl)acetate
CID 4730340
5,7-dibromo-1-(3-isothiocyanatopropyl)indole-2,3-dione
CID 56659298
1-[(E)-3-phenylprop-2-enyl]pyridin-4-one
CID 116622263
methyl 4-[(5,7-dibromo-2,3-dioxoindol-1-yl)methyl]benzoate
CID 23631273
1,3-dibromo-5-(2-phenylethenyl)benzene
CID 74389715
7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione
CID 61356769
1-[(E)-3-phenylprop-2-enyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 7975819
2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione
CID 23047146
3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole
CID 114692400

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-1-(3-phenylprop-2-enyl)indole-2,3-dione?
The IUPAC name of 5,7-dibromo-1-(3-phenylprop-2-enyl)indole-2,3-dione (CID 69166659) is 5,7-dibromo-1-(3-phenylprop-2-enyl)indole-2,3-dione.
What is the SMILES notation for 5,7-dibromo-1-(3-phenylprop-2-enyl)indole-2,3-dione?
The canonical SMILES for 5,7-dibromo-1-(3-phenylprop-2-enyl)indole-2,3-dione is O=C1C(=O)N(CC=Cc2ccccc2)c2c(Br)cc(Br)cc21.
What is the InChIKey of 5,7-dibromo-1-(3-phenylprop-2-enyl)indole-2,3-dione?
The InChIKey is RCOOJYSKHVRBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2NO2/c18-12-9-13-15(14(19)10-12)20(17(22)16(13)21)8-4-7-11-5-2-1-3-6-11/h1-7,9-10H,8H2.
What are the key properties of 5,7-dibromo-1-(3-phenylprop-2-enyl)indole-2,3-dione?
5,7-dibromo-1-(3-phenylprop-2-enyl)indole-2,3-dione has a molecular weight of 421.09 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-1-(3-phenylprop-2-enyl)indole-2,3-dione is sourced from PubChem (CID 69166659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).