(2Z)-2-[(5-bromofuran-2-yl)methylidene]-3H-inden-1-one

C14H9BrO2 — CID 6162106

IUPAC(2Z)-2-[(5-bromofuran-2-yl)methylidene]-3H-inden-1-one
SMILESO=C1/C(=C\c2ccc(Br)o2)Cc2ccccc21
InChIInChI=1S/C14H9BrO2/c15-13-6-5-11(17-13)8-10-7-9-3-1-2-4-12(9)14(10)16/h1-6,8H,7H2/b10-8-
InChIKeyUHDGPPPQZZCIQF-NTMALXAHSA-N
MW289.13 g/mol
LogP3.86
Rot. Bonds1

About (2Z)-2-[(5-bromofuran-2-yl)methylidene]-3H-inden-1-one

(2Z)-2-[(5-bromofuran-2-yl)methylidene]-3H-inden-1-one (PubChem CID 6162106) has the molecular formula C14H9BrO2 and a molecular weight of 289.13 g/mol. Its IUPAC name is (2Z)-2-[(5-bromofuran-2-yl)methylidene]-3H-inden-1-one.

Molecular Properties

Compound Name(2Z)-2-[(5-bromofuran-2-yl)methylidene]-3H-inden-1-one
PubChem CID6162106
Molecular FormulaC14H9BrO2
Molecular Weight289.13 g/mol
Exact Mass287.98
IUPAC Name(2Z)-2-[(5-bromofuran-2-yl)methylidene]-3H-inden-1-one
SMILESO=C1/C(=C\c2ccc(Br)o2)Cc2ccccc21
InChIInChI=1S/C14H9BrO2/c15-13-6-5-11(17-13)8-10-7-9-3-1-2-4-12(9)14(10)16/h1-6,8H,7H2/b10-8-
InChIKeyUHDGPPPQZZCIQF-NTMALXAHSA-N
XLogP3.86
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5-bromofuran-2-yl)methylidene]-3H-inden-1-one?
The IUPAC name of (2Z)-2-[(5-bromofuran-2-yl)methylidene]-3H-inden-1-one (CID 6162106) is (2Z)-2-[(5-bromofuran-2-yl)methylidene]-3H-inden-1-one.
What is the SMILES notation for (2Z)-2-[(5-bromofuran-2-yl)methylidene]-3H-inden-1-one?
The canonical SMILES for (2Z)-2-[(5-bromofuran-2-yl)methylidene]-3H-inden-1-one is O=C1/C(=C\c2ccc(Br)o2)Cc2ccccc21.
What is the InChIKey of (2Z)-2-[(5-bromofuran-2-yl)methylidene]-3H-inden-1-one?
The InChIKey is UHDGPPPQZZCIQF-NTMALXAHSA-N. The full InChI is InChI=1S/C14H9BrO2/c15-13-6-5-11(17-13)8-10-7-9-3-1-2-4-12(9)14(10)16/h1-6,8H,7H2/b10-8-.
What are the key properties of (2Z)-2-[(5-bromofuran-2-yl)methylidene]-3H-inden-1-one?
(2Z)-2-[(5-bromofuran-2-yl)methylidene]-3H-inden-1-one has a molecular weight of 289.13 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5-bromofuran-2-yl)methylidene]-3H-inden-1-one is sourced from PubChem (CID 6162106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).