7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione

C14H8BrNO4 — CID 62024581

IUPAC7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione
SMILESO=C(CN1C(=O)C(=O)c2cccc(Br)c21)c1ccco1
InChIInChI=1S/C14H8BrNO4/c15-9-4-1-3-8-12(9)16(14(19)13(8)18)7-10(17)11-5-2-6-20-11/h1-6H,7H2
InChIKeySDWSAVGYEKXXPU-UHFFFAOYSA-N
MW334.12 g/mol
LogP2.45
Rot. Bonds3

About 7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione

7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione (PubChem CID 62024581) has the molecular formula C14H8BrNO4 and a molecular weight of 334.12 g/mol. Its IUPAC name is 7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione
PubChem CID62024581
Molecular FormulaC14H8BrNO4
Molecular Weight334.12 g/mol
Exact Mass332.96
IUPAC Name7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione
SMILESO=C(CN1C(=O)C(=O)c2cccc(Br)c21)c1ccco1
InChIInChI=1S/C14H8BrNO4/c15-9-4-1-3-8-12(9)16(14(19)13(8)18)7-10(17)11-5-2-6-20-11/h1-6H,7H2
InChIKeySDWSAVGYEKXXPU-UHFFFAOYSA-N
XLogP2.45
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.12
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione?
The IUPAC name of 7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione (CID 62024581) is 7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione.
What is the SMILES notation for 7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione?
The canonical SMILES for 7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione is O=C(CN1C(=O)C(=O)c2cccc(Br)c21)c1ccco1.
What is the InChIKey of 7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione?
The InChIKey is SDWSAVGYEKXXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO4/c15-9-4-1-3-8-12(9)16(14(19)13(8)18)7-10(17)11-5-2-6-20-11/h1-6H,7H2.
What are the key properties of 7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione?
7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione has a molecular weight of 334.12 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-[2-(furan-2-yl)-2-oxoethyl]indole-2,3-dione is sourced from PubChem (CID 62024581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).