4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid

C9H8O5 — CID 102515513

IUPAC4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid
SMILESO=C(O)c1cc(/C=C/CO)cc(=O)o1
InChIInChI=1S/C9H8O5/c10-3-1-2-6-4-7(9(12)13)14-8(11)5-6/h1-2,4-5,10H,3H2,(H,12,13)/b2-1+
InChIKeyJZWUYCGDMCRRTE-OWOJBTEDSA-N
MW196.16 g/mol
LogP0.34
Rot. Bonds3

About 4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid

4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid (PubChem CID 102515513) has the molecular formula C9H8O5 and a molecular weight of 196.16 g/mol. Its IUPAC name is 4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid
PubChem CID102515513
Molecular FormulaC9H8O5
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid
SMILESO=C(O)c1cc(/C=C/CO)cc(=O)o1
InChIInChI=1S/C9H8O5/c10-3-1-2-6-4-7(9(12)13)14-8(11)5-6/h1-2,4-5,10H,3H2,(H,12,13)/b2-1+
InChIKeyJZWUYCGDMCRRTE-OWOJBTEDSA-N
XLogP0.34
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Chorismic Acid
CID 12039
alpha-Pyrone-4,6-dicarboxylic acid
CID 372
3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate
CID 5460312
4-methyl-2-oxo-2H-pyran-6-carboxylic acid
CID 2739563
Hydroxypestalopyrone
CID 44587537
Alcanivorone
CID 10353048
methyl 4-methyl-2-oxo-2H-pyran-6-carboxylate
CID 2739565
Pyrenocine R
CID 134143541
3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
CID 306
Herbarin A
CID 11042715
Nigrosporapyrone
CID 102476173
4-ethyl-2H-pyran-2-one-6-carboxylic acid
CID 14516694

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid?
The IUPAC name of 4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid (CID 102515513) is 4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid.
What is the SMILES notation for 4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid?
The canonical SMILES for 4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid is O=C(O)c1cc(/C=C/CO)cc(=O)o1.
What is the InChIKey of 4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid?
The InChIKey is JZWUYCGDMCRRTE-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H8O5/c10-3-1-2-6-4-7(9(12)13)14-8(11)5-6/h1-2,4-5,10H,3H2,(H,12,13)/b2-1+.
What are the key properties of 4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid?
4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid has a molecular weight of 196.16 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-hydroxyprop-1-enyl]-6-oxopyran-2-carboxylic acid is sourced from PubChem (CID 102515513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).