3-hydroxy-4-methyl-5-[(E)-prop-1-enyl]-3H-furan-2-one

C8H10O3 — CID 139590827

IUPAC3-hydroxy-4-methyl-5-[(E)-prop-1-enyl]-3H-furan-2-one
SMILESC/C=C/C1=C(C)C(O)C(=O)O1
InChIInChI=1S/C8H10O3/c1-3-4-6-5(2)7(9)8(10)11-6/h3-4,7,9H,1-2H3/b4-3+
InChIKeyQTXWAPQKJSBPEW-ONEGZZNKSA-N
MW154.16 g/mol
LogP0.75
Rot. Bonds1

About 3-hydroxy-4-methyl-5-[(E)-prop-1-enyl]-3H-furan-2-one

3-hydroxy-4-methyl-5-[(E)-prop-1-enyl]-3H-furan-2-one (PubChem CID 139590827) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-5-[(E)-prop-1-enyl]-3H-furan-2-one.

Molecular Properties

Compound Name3-hydroxy-4-methyl-5-[(E)-prop-1-enyl]-3H-furan-2-one
PubChem CID139590827
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3-hydroxy-4-methyl-5-[(E)-prop-1-enyl]-3H-furan-2-one
SMILESC/C=C/C1=C(C)C(O)C(=O)O1
InChIInChI=1S/C8H10O3/c1-3-4-6-5(2)7(9)8(10)11-6/h3-4,7,9H,1-2H3/b4-3+
InChIKeyQTXWAPQKJSBPEW-ONEGZZNKSA-N
XLogP0.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-5-[(E)-prop-1-enyl]-3H-furan-2-one?
The IUPAC name of 3-hydroxy-4-methyl-5-[(E)-prop-1-enyl]-3H-furan-2-one (CID 139590827) is 3-hydroxy-4-methyl-5-[(E)-prop-1-enyl]-3H-furan-2-one.
What is the SMILES notation for 3-hydroxy-4-methyl-5-[(E)-prop-1-enyl]-3H-furan-2-one?
The canonical SMILES for 3-hydroxy-4-methyl-5-[(E)-prop-1-enyl]-3H-furan-2-one is C/C=C/C1=C(C)C(O)C(=O)O1.
What is the InChIKey of 3-hydroxy-4-methyl-5-[(E)-prop-1-enyl]-3H-furan-2-one?
The InChIKey is QTXWAPQKJSBPEW-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H10O3/c1-3-4-6-5(2)7(9)8(10)11-6/h3-4,7,9H,1-2H3/b4-3+.
What are the key properties of 3-hydroxy-4-methyl-5-[(E)-prop-1-enyl]-3H-furan-2-one?
3-hydroxy-4-methyl-5-[(E)-prop-1-enyl]-3H-furan-2-one has a molecular weight of 154.16 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-5-[(E)-prop-1-enyl]-3H-furan-2-one is sourced from PubChem (CID 139590827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).