(5E)-5-ethylidene-3-hydroxy-4-methylfuran-2-one

C7H8O3 — CID 6432881

IUPAC(5E)-5-ethylidene-3-hydroxy-4-methylfuran-2-one
SMILESC/C=C1/OC(=O)C(O)=C1C
InChIInChI=1S/C7H8O3/c1-3-5-4(2)6(8)7(9)10-5/h3,8H,1-2H3/b5-3+
InChIKeyIPTJXHCVSMNBMI-HWKANZROSA-N
MW140.14 g/mol
LogP1.28
Rot. Bonds

About (5E)-5-ethylidene-3-hydroxy-4-methylfuran-2-one

(5E)-5-ethylidene-3-hydroxy-4-methylfuran-2-one (PubChem CID 6432881) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (5E)-5-ethylidene-3-hydroxy-4-methylfuran-2-one.

Molecular Properties

Compound Name(5E)-5-ethylidene-3-hydroxy-4-methylfuran-2-one
PubChem CID6432881
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(5E)-5-ethylidene-3-hydroxy-4-methylfuran-2-one
SMILESC/C=C1/OC(=O)C(O)=C1C
InChIInChI=1S/C7H8O3/c1-3-5-4(2)6(8)7(9)10-5/h3,8H,1-2H3/b5-3+
InChIKeyIPTJXHCVSMNBMI-HWKANZROSA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-3-hydroxy-4-methylfuran-2-one?
The IUPAC name of (5E)-5-ethylidene-3-hydroxy-4-methylfuran-2-one (CID 6432881) is (5E)-5-ethylidene-3-hydroxy-4-methylfuran-2-one.
What is the SMILES notation for (5E)-5-ethylidene-3-hydroxy-4-methylfuran-2-one?
The canonical SMILES for (5E)-5-ethylidene-3-hydroxy-4-methylfuran-2-one is C/C=C1/OC(=O)C(O)=C1C.
What is the InChIKey of (5E)-5-ethylidene-3-hydroxy-4-methylfuran-2-one?
The InChIKey is IPTJXHCVSMNBMI-HWKANZROSA-N. The full InChI is InChI=1S/C7H8O3/c1-3-5-4(2)6(8)7(9)10-5/h3,8H,1-2H3/b5-3+.
What are the key properties of (5E)-5-ethylidene-3-hydroxy-4-methylfuran-2-one?
(5E)-5-ethylidene-3-hydroxy-4-methylfuran-2-one has a molecular weight of 140.14 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-3-hydroxy-4-methylfuran-2-one is sourced from PubChem (CID 6432881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).