2-(carboxymethyl)-3-oxo-1-[(Z)-prop-1-enyl]indene-4-carboxylic acid

C15H12O5 — CID 142152499

IUPAC2-(carboxymethyl)-3-oxo-1-[(Z)-prop-1-enyl]indene-4-carboxylic acid
SMILESC/C=C\C1=C(CC(=O)O)C(=O)c2c(C(=O)O)cccc21
InChIInChI=1S/C15H12O5/c1-2-4-8-9-5-3-6-10(15(19)20)13(9)14(18)11(8)7-12(16)17/h2-6H,7H2,1H3,(H,16,17)(H,19,20)/b4-2-
InChIKeyAXFMEQZTABLWGI-RQOWECAXSA-N
MW272.26 g/mol
LogP2.39
Rot. Bonds4

About 2-(carboxymethyl)-3-oxo-1-[(Z)-prop-1-enyl]indene-4-carboxylic acid

2-(carboxymethyl)-3-oxo-1-[(Z)-prop-1-enyl]indene-4-carboxylic acid (PubChem CID 142152499) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-(carboxymethyl)-3-oxo-1-[(Z)-prop-1-enyl]indene-4-carboxylic acid.

Molecular Properties

Compound Name2-(carboxymethyl)-3-oxo-1-[(Z)-prop-1-enyl]indene-4-carboxylic acid
PubChem CID142152499
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name2-(carboxymethyl)-3-oxo-1-[(Z)-prop-1-enyl]indene-4-carboxylic acid
SMILESC/C=C\C1=C(CC(=O)O)C(=O)c2c(C(=O)O)cccc21
InChIInChI=1S/C15H12O5/c1-2-4-8-9-5-3-6-10(15(19)20)13(9)14(18)11(8)7-12(16)17/h2-6H,7H2,1H3,(H,16,17)(H,19,20)/b4-2-
InChIKeyAXFMEQZTABLWGI-RQOWECAXSA-N
XLogP2.39
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethyl)-3-oxo-1-[(Z)-prop-1-enyl]indene-4-carboxylic acid?
The IUPAC name of 2-(carboxymethyl)-3-oxo-1-[(Z)-prop-1-enyl]indene-4-carboxylic acid (CID 142152499) is 2-(carboxymethyl)-3-oxo-1-[(Z)-prop-1-enyl]indene-4-carboxylic acid.
What is the SMILES notation for 2-(carboxymethyl)-3-oxo-1-[(Z)-prop-1-enyl]indene-4-carboxylic acid?
The canonical SMILES for 2-(carboxymethyl)-3-oxo-1-[(Z)-prop-1-enyl]indene-4-carboxylic acid is C/C=C\C1=C(CC(=O)O)C(=O)c2c(C(=O)O)cccc21.
What is the InChIKey of 2-(carboxymethyl)-3-oxo-1-[(Z)-prop-1-enyl]indene-4-carboxylic acid?
The InChIKey is AXFMEQZTABLWGI-RQOWECAXSA-N. The full InChI is InChI=1S/C15H12O5/c1-2-4-8-9-5-3-6-10(15(19)20)13(9)14(18)11(8)7-12(16)17/h2-6H,7H2,1H3,(H,16,17)(H,19,20)/b4-2-.
What are the key properties of 2-(carboxymethyl)-3-oxo-1-[(Z)-prop-1-enyl]indene-4-carboxylic acid?
2-(carboxymethyl)-3-oxo-1-[(Z)-prop-1-enyl]indene-4-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethyl)-3-oxo-1-[(Z)-prop-1-enyl]indene-4-carboxylic acid is sourced from PubChem (CID 142152499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).