6-(3,4-dihydroxypent-1-enyl)pyran-2-one

C10H12O4 — CID 75110869

IUPAC6-(3,4-dihydroxypent-1-enyl)pyran-2-one
SMILESCC(O)C(O)C=Cc1cccc(=O)o1
InChIInChI=1S/C10H12O4/c1-7(11)9(12)6-5-8-3-2-4-10(13)14-8/h2-7,9,11-12H,1H3
InChIKeyHAMNKHJHOZJTEE-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.39
Rot. Bonds3

About 6-(3,4-dihydroxypent-1-enyl)pyran-2-one

6-(3,4-dihydroxypent-1-enyl)pyran-2-one (PubChem CID 75110869) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 6-(3,4-dihydroxypent-1-enyl)pyran-2-one.

Molecular Properties

Compound Name6-(3,4-dihydroxypent-1-enyl)pyran-2-one
PubChem CID75110869
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name6-(3,4-dihydroxypent-1-enyl)pyran-2-one
SMILESCC(O)C(O)C=Cc1cccc(=O)o1
InChIInChI=1S/C10H12O4/c1-7(11)9(12)6-5-8-3-2-4-10(13)14-8/h2-7,9,11-12H,1H3
InChIKeyHAMNKHJHOZJTEE-UHFFFAOYSA-N
XLogP0.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydroxypent-1-enyl)pyran-2-one?
The IUPAC name of 6-(3,4-dihydroxypent-1-enyl)pyran-2-one (CID 75110869) is 6-(3,4-dihydroxypent-1-enyl)pyran-2-one.
What is the SMILES notation for 6-(3,4-dihydroxypent-1-enyl)pyran-2-one?
The canonical SMILES for 6-(3,4-dihydroxypent-1-enyl)pyran-2-one is CC(O)C(O)C=Cc1cccc(=O)o1.
What is the InChIKey of 6-(3,4-dihydroxypent-1-enyl)pyran-2-one?
The InChIKey is HAMNKHJHOZJTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-7(11)9(12)6-5-8-3-2-4-10(13)14-8/h2-7,9,11-12H,1H3.
What are the key properties of 6-(3,4-dihydroxypent-1-enyl)pyran-2-one?
6-(3,4-dihydroxypent-1-enyl)pyran-2-one has a molecular weight of 196.20 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydroxypent-1-enyl)pyran-2-one is sourced from PubChem (CID 75110869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).