5-bromo-3-(furan-2-ylmethyl)-1,3-dihydroindol-2-one

C13H10BrNO2 — CID 2994253

IUPAC5-bromo-3-(furan-2-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1Cc1ccco1
InChIInChI=1S/C13H10BrNO2/c14-8-3-4-12-10(6-8)11(13(16)15-12)7-9-2-1-5-17-9/h1-6,11H,7H2,(H,15,16)
InChIKeyZZHXKTXKOHPLSC-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.32
Rot. Bonds2

About 5-bromo-3-(furan-2-ylmethyl)-1,3-dihydroindol-2-one

5-bromo-3-(furan-2-ylmethyl)-1,3-dihydroindol-2-one (PubChem CID 2994253) has the molecular formula C13H10BrNO2 and a molecular weight of 292.13 g/mol. Its IUPAC name is 5-bromo-3-(furan-2-ylmethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(furan-2-ylmethyl)-1,3-dihydroindol-2-one
PubChem CID2994253
Molecular FormulaC13H10BrNO2
Molecular Weight292.13 g/mol
Exact Mass290.99
IUPAC Name5-bromo-3-(furan-2-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1Cc1ccco1
InChIInChI=1S/C13H10BrNO2/c14-8-3-4-12-10(6-8)11(13(16)15-12)7-9-2-1-5-17-9/h1-6,11H,7H2,(H,15,16)
InChIKeyZZHXKTXKOHPLSC-UHFFFAOYSA-N
XLogP3.32
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(furan-2-ylmethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(furan-2-ylmethyl)-1,3-dihydroindol-2-one (CID 2994253) is 5-bromo-3-(furan-2-ylmethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(furan-2-ylmethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(furan-2-ylmethyl)-1,3-dihydroindol-2-one is O=C1Nc2ccc(Br)cc2C1Cc1ccco1.
What is the InChIKey of 5-bromo-3-(furan-2-ylmethyl)-1,3-dihydroindol-2-one?
The InChIKey is ZZHXKTXKOHPLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2/c14-8-3-4-12-10(6-8)11(13(16)15-12)7-9-2-1-5-17-9/h1-6,11H,7H2,(H,15,16).
What are the key properties of 5-bromo-3-(furan-2-ylmethyl)-1,3-dihydroindol-2-one?
5-bromo-3-(furan-2-ylmethyl)-1,3-dihydroindol-2-one has a molecular weight of 292.13 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(furan-2-ylmethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 2994253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).