5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one

C17H14BrNO4 — CID 3481662

IUPAC5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)C(O)(CC(=O)c2ccco2)c2cc(Br)ccc21
InChIInChI=1S/C17H14BrNO4/c1-2-7-19-13-6-5-11(18)9-12(13)17(22,16(19)21)10-14(20)15-4-3-8-23-15/h2-6,8-9,22H,1,7,10H2
InChIKeyKWGRTYBNLJVQDY-UHFFFAOYSA-N
MW376.21 g/mol
LogP3.04
Rot. Bonds5

About 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one

5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one (PubChem CID 3481662) has the molecular formula C17H14BrNO4 and a molecular weight of 376.21 g/mol. Its IUPAC name is 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one.

Molecular Properties

Compound Name5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
PubChem CID3481662
Molecular FormulaC17H14BrNO4
Molecular Weight376.21 g/mol
Exact Mass375.01
IUPAC Name5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)C(O)(CC(=O)c2ccco2)c2cc(Br)ccc21
InChIInChI=1S/C17H14BrNO4/c1-2-7-19-13-6-5-11(18)9-12(13)17(22,16(19)21)10-14(20)15-4-3-8-23-15/h2-6,8-9,22H,1,7,10H2
InChIKeyKWGRTYBNLJVQDY-UHFFFAOYSA-N
XLogP3.04
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one?
The IUPAC name of 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one (CID 3481662) is 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one.
What is the SMILES notation for 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one?
The canonical SMILES for 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one is C=CCN1C(=O)C(O)(CC(=O)c2ccco2)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one?
The InChIKey is KWGRTYBNLJVQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO4/c1-2-7-19-13-6-5-11(18)9-12(13)17(22,16(19)21)10-14(20)15-4-3-8-23-15/h2-6,8-9,22H,1,7,10H2.
What are the key properties of 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one?
5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one has a molecular weight of 376.21 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one is sourced from PubChem (CID 3481662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).