5-(cyclopenten-1-yl)-5-methyl-4-oxofuran-2-carboxylic acid

C11H12O4 — CID 11413114

IUPAC5-(cyclopenten-1-yl)-5-methyl-4-oxofuran-2-carboxylic acid
SMILESCC1(C2=CCCC2)OC(C(=O)O)=CC1=O
InChIInChI=1S/C11H12O4/c1-11(7-4-2-3-5-7)9(12)6-8(15-11)10(13)14/h4,6H,2-3,5H2,1H3,(H,13,14)
InChIKeyLDRXFNRHMPVZBO-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.42
Rot. Bonds2

About 5-(cyclopenten-1-yl)-5-methyl-4-oxofuran-2-carboxylic acid

5-(cyclopenten-1-yl)-5-methyl-4-oxofuran-2-carboxylic acid (PubChem CID 11413114) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 5-(cyclopenten-1-yl)-5-methyl-4-oxofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopenten-1-yl)-5-methyl-4-oxofuran-2-carboxylic acid
PubChem CID11413114
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name5-(cyclopenten-1-yl)-5-methyl-4-oxofuran-2-carboxylic acid
SMILESCC1(C2=CCCC2)OC(C(=O)O)=CC1=O
InChIInChI=1S/C11H12O4/c1-11(7-4-2-3-5-7)9(12)6-8(15-11)10(13)14/h4,6H,2-3,5H2,1H3,(H,13,14)
InChIKeyLDRXFNRHMPVZBO-UHFFFAOYSA-N
XLogP1.42
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopenten-1-yl)-5-methyl-4-oxofuran-2-carboxylic acid?
The IUPAC name of 5-(cyclopenten-1-yl)-5-methyl-4-oxofuran-2-carboxylic acid (CID 11413114) is 5-(cyclopenten-1-yl)-5-methyl-4-oxofuran-2-carboxylic acid.
What is the SMILES notation for 5-(cyclopenten-1-yl)-5-methyl-4-oxofuran-2-carboxylic acid?
The canonical SMILES for 5-(cyclopenten-1-yl)-5-methyl-4-oxofuran-2-carboxylic acid is CC1(C2=CCCC2)OC(C(=O)O)=CC1=O.
What is the InChIKey of 5-(cyclopenten-1-yl)-5-methyl-4-oxofuran-2-carboxylic acid?
The InChIKey is LDRXFNRHMPVZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-11(7-4-2-3-5-7)9(12)6-8(15-11)10(13)14/h4,6H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 5-(cyclopenten-1-yl)-5-methyl-4-oxofuran-2-carboxylic acid?
5-(cyclopenten-1-yl)-5-methyl-4-oxofuran-2-carboxylic acid has a molecular weight of 208.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopenten-1-yl)-5-methyl-4-oxofuran-2-carboxylic acid is sourced from PubChem (CID 11413114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).