4-oxo-5-[(E)-pent-1-enyl]pyran-2-carboxylic acid

C11H12O4 — CID 59364493

IUPAC4-oxo-5-[(E)-pent-1-enyl]pyran-2-carboxylic acid
SMILESCCC/C=C/c1coc(C(=O)O)cc1=O
InChIInChI=1S/C11H12O4/c1-2-3-4-5-8-7-15-10(11(13)14)6-9(8)12/h4-7H,2-3H2,1H3,(H,13,14)/b5-4+
InChIKeyCSFWACYWLCSCRV-SNAWJCMRSA-N
MW208.21 g/mol
LogP2.15
Rot. Bonds4

About 4-oxo-5-[(E)-pent-1-enyl]pyran-2-carboxylic acid

4-oxo-5-[(E)-pent-1-enyl]pyran-2-carboxylic acid (PubChem CID 59364493) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 4-oxo-5-[(E)-pent-1-enyl]pyran-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-5-[(E)-pent-1-enyl]pyran-2-carboxylic acid
PubChem CID59364493
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name4-oxo-5-[(E)-pent-1-enyl]pyran-2-carboxylic acid
SMILESCCC/C=C/c1coc(C(=O)O)cc1=O
InChIInChI=1S/C11H12O4/c1-2-3-4-5-8-7-15-10(11(13)14)6-9(8)12/h4-7H,2-3H2,1H3,(H,13,14)/b5-4+
InChIKeyCSFWACYWLCSCRV-SNAWJCMRSA-N
XLogP2.15
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-5-[(E)-pent-1-enyl]pyran-2-carboxylic acid?
The IUPAC name of 4-oxo-5-[(E)-pent-1-enyl]pyran-2-carboxylic acid (CID 59364493) is 4-oxo-5-[(E)-pent-1-enyl]pyran-2-carboxylic acid.
What is the SMILES notation for 4-oxo-5-[(E)-pent-1-enyl]pyran-2-carboxylic acid?
The canonical SMILES for 4-oxo-5-[(E)-pent-1-enyl]pyran-2-carboxylic acid is CCC/C=C/c1coc(C(=O)O)cc1=O.
What is the InChIKey of 4-oxo-5-[(E)-pent-1-enyl]pyran-2-carboxylic acid?
The InChIKey is CSFWACYWLCSCRV-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H12O4/c1-2-3-4-5-8-7-15-10(11(13)14)6-9(8)12/h4-7H,2-3H2,1H3,(H,13,14)/b5-4+.
What are the key properties of 4-oxo-5-[(E)-pent-1-enyl]pyran-2-carboxylic acid?
4-oxo-5-[(E)-pent-1-enyl]pyran-2-carboxylic acid has a molecular weight of 208.21 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5-[(E)-pent-1-enyl]pyran-2-carboxylic acid is sourced from PubChem (CID 59364493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).