(E)-5,5-dihydroxypent-3-en-2-one

C5H8O3 — CID 13433791

IUPAC(E)-5,5-dihydroxypent-3-en-2-one
SMILESCC(=O)/C=C/C(O)O
InChIInChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3,5,7-8H,1H3/b3-2+
InChIKeyZLPFXJFKMLTOQD-NSCUHMNNSA-N
MW116.12 g/mol
LogP-0.56
Rot. Bonds2

About (E)-5,5-dihydroxypent-3-en-2-one

(E)-5,5-dihydroxypent-3-en-2-one (PubChem CID 13433791) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (E)-5,5-dihydroxypent-3-en-2-one.

Molecular Properties

Compound Name(E)-5,5-dihydroxypent-3-en-2-one
PubChem CID13433791
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(E)-5,5-dihydroxypent-3-en-2-one
SMILESCC(=O)/C=C/C(O)O
InChIInChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3,5,7-8H,1H3/b3-2+
InChIKeyZLPFXJFKMLTOQD-NSCUHMNNSA-N
XLogP-0.56
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5,5-dihydroxypent-3-en-2-one?
The IUPAC name of (E)-5,5-dihydroxypent-3-en-2-one (CID 13433791) is (E)-5,5-dihydroxypent-3-en-2-one.
What is the SMILES notation for (E)-5,5-dihydroxypent-3-en-2-one?
The canonical SMILES for (E)-5,5-dihydroxypent-3-en-2-one is CC(=O)/C=C/C(O)O.
What is the InChIKey of (E)-5,5-dihydroxypent-3-en-2-one?
The InChIKey is ZLPFXJFKMLTOQD-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3,5,7-8H,1H3/b3-2+.
What are the key properties of (E)-5,5-dihydroxypent-3-en-2-one?
(E)-5,5-dihydroxypent-3-en-2-one has a molecular weight of 116.12 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5-dihydroxypent-3-en-2-one is sourced from PubChem (CID 13433791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).