(2Z)-2-(furan-2-ylmethylidene)-1,3-dioxoindene-5-carboxylic acid

C15H8O5 — CID 741770

IUPAC(2Z)-2-(furan-2-ylmethylidene)-1,3-dioxoindene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)/C(=C\c1ccco1)C2=O
InChIInChI=1S/C15H8O5/c16-13-10-4-3-8(15(18)19)6-11(10)14(17)12(13)7-9-2-1-5-20-9/h1-7H,(H,18,19)/b12-7-
InChIKeyLTRVPABSHOFVKX-GHXNOFRVSA-N
MW268.22 g/mol
LogP2.44
Rot. Bonds2

About (2Z)-2-(furan-2-ylmethylidene)-1,3-dioxoindene-5-carboxylic acid

(2Z)-2-(furan-2-ylmethylidene)-1,3-dioxoindene-5-carboxylic acid (PubChem CID 741770) has the molecular formula C15H8O5 and a molecular weight of 268.22 g/mol. Its IUPAC name is (2Z)-2-(furan-2-ylmethylidene)-1,3-dioxoindene-5-carboxylic acid.

Molecular Properties

Compound Name(2Z)-2-(furan-2-ylmethylidene)-1,3-dioxoindene-5-carboxylic acid
PubChem CID741770
Molecular FormulaC15H8O5
Molecular Weight268.22 g/mol
Exact Mass268.04
IUPAC Name(2Z)-2-(furan-2-ylmethylidene)-1,3-dioxoindene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)/C(=C\c1ccco1)C2=O
InChIInChI=1S/C15H8O5/c16-13-10-4-3-8(15(18)19)6-11(10)14(17)12(13)7-9-2-1-5-20-9/h1-7H,(H,18,19)/b12-7-
InChIKeyLTRVPABSHOFVKX-GHXNOFRVSA-N
XLogP2.44
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2Z)-2-(furan-2-ylmethylidene)-1,3-dioxoindene-5-carboxylic acid?
The IUPAC name of (2Z)-2-(furan-2-ylmethylidene)-1,3-dioxoindene-5-carboxylic acid (CID 741770) is (2Z)-2-(furan-2-ylmethylidene)-1,3-dioxoindene-5-carboxylic acid.
What is the SMILES notation for (2Z)-2-(furan-2-ylmethylidene)-1,3-dioxoindene-5-carboxylic acid?
The canonical SMILES for (2Z)-2-(furan-2-ylmethylidene)-1,3-dioxoindene-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)/C(=C\c1ccco1)C2=O.
What is the InChIKey of (2Z)-2-(furan-2-ylmethylidene)-1,3-dioxoindene-5-carboxylic acid?
The InChIKey is LTRVPABSHOFVKX-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H8O5/c16-13-10-4-3-8(15(18)19)6-11(10)14(17)12(13)7-9-2-1-5-20-9/h1-7H,(H,18,19)/b12-7-.
What are the key properties of (2Z)-2-(furan-2-ylmethylidene)-1,3-dioxoindene-5-carboxylic acid?
(2Z)-2-(furan-2-ylmethylidene)-1,3-dioxoindene-5-carboxylic acid has a molecular weight of 268.22 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(furan-2-ylmethylidene)-1,3-dioxoindene-5-carboxylic acid is sourced from PubChem (CID 741770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).