2-[(5-bromofuran-2-yl)methylidene]indene-1,3-dione

C14H7BrO3 — CID 671424

IUPAC2-[(5-bromofuran-2-yl)methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2ccc(Br)o2)C(=O)c2ccccc21
InChIInChI=1S/C14H7BrO3/c15-12-6-5-8(18-12)7-11-13(16)9-3-1-2-4-10(9)14(11)17/h1-7H
InChIKeyRSYMXQPQWJUWGI-UHFFFAOYSA-N
MW303.11 g/mol
LogP3.50
Rot. Bonds1

About 2-[(5-bromofuran-2-yl)methylidene]indene-1,3-dione

2-[(5-bromofuran-2-yl)methylidene]indene-1,3-dione (PubChem CID 671424) has the molecular formula C14H7BrO3 and a molecular weight of 303.11 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-yl)methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[(5-bromofuran-2-yl)methylidene]indene-1,3-dione
PubChem CID671424
Molecular FormulaC14H7BrO3
Molecular Weight303.11 g/mol
Exact Mass301.96
IUPAC Name2-[(5-bromofuran-2-yl)methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2ccc(Br)o2)C(=O)c2ccccc21
InChIInChI=1S/C14H7BrO3/c15-12-6-5-8(18-12)7-11-13(16)9-3-1-2-4-10(9)14(11)17/h1-7H
InChIKeyRSYMXQPQWJUWGI-UHFFFAOYSA-N
XLogP3.50
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-yl)methylidene]indene-1,3-dione?
The IUPAC name of 2-[(5-bromofuran-2-yl)methylidene]indene-1,3-dione (CID 671424) is 2-[(5-bromofuran-2-yl)methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[(5-bromofuran-2-yl)methylidene]indene-1,3-dione?
The canonical SMILES for 2-[(5-bromofuran-2-yl)methylidene]indene-1,3-dione is O=C1C(=Cc2ccc(Br)o2)C(=O)c2ccccc21.
What is the InChIKey of 2-[(5-bromofuran-2-yl)methylidene]indene-1,3-dione?
The InChIKey is RSYMXQPQWJUWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrO3/c15-12-6-5-8(18-12)7-11-13(16)9-3-1-2-4-10(9)14(11)17/h1-7H.
What are the key properties of 2-[(5-bromofuran-2-yl)methylidene]indene-1,3-dione?
2-[(5-bromofuran-2-yl)methylidene]indene-1,3-dione has a molecular weight of 303.11 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-yl)methylidene]indene-1,3-dione is sourced from PubChem (CID 671424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).