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

C10H12O4 — CID 45359427

IUPAC6-[(E)-3,4-dihydroxypent-1-enyl]pyran-2-one
SMILESCC(O)C(O)/C=C/c1cccc(=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/b6-5+
InChIKeyHAMNKHJHOZJTEE-AATRIKPKSA-N
MW196.20 g/mol
LogP0.39
Rot. Bonds3

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

6-[(E)-3,4-dihydroxypent-1-enyl]pyran-2-one (PubChem CID 45359427) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 6-[(E)-3,4-dihydroxypent-1-enyl]pyran-2-one.

Molecular Properties

Compound Name6-[(E)-3,4-dihydroxypent-1-enyl]pyran-2-one
PubChem CID45359427
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name6-[(E)-3,4-dihydroxypent-1-enyl]pyran-2-one
SMILESCC(O)C(O)/C=C/c1cccc(=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/b6-5+
InChIKeyHAMNKHJHOZJTEE-AATRIKPKSA-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-[(E)-3,4-dihydroxypent-1-enyl]pyran-2-one?
The IUPAC name of 6-[(E)-3,4-dihydroxypent-1-enyl]pyran-2-one (CID 45359427) is 6-[(E)-3,4-dihydroxypent-1-enyl]pyran-2-one.
What is the SMILES notation for 6-[(E)-3,4-dihydroxypent-1-enyl]pyran-2-one?
The canonical SMILES for 6-[(E)-3,4-dihydroxypent-1-enyl]pyran-2-one is CC(O)C(O)/C=C/c1cccc(=O)o1.
What is the InChIKey of 6-[(E)-3,4-dihydroxypent-1-enyl]pyran-2-one?
The InChIKey is HAMNKHJHOZJTEE-AATRIKPKSA-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/b6-5+.
What are the key properties of 6-[(E)-3,4-dihydroxypent-1-enyl]pyran-2-one?
6-[(E)-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-[(E)-3,4-dihydroxypent-1-enyl]pyran-2-one is sourced from PubChem (CID 45359427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).