(5E)-3-[(E)-3-hydroxyprop-1-enyl]-5-propylidenefuran-2-one

C10H12O3 — CID 10888517

IUPAC(5E)-3-[(E)-3-hydroxyprop-1-enyl]-5-propylidenefuran-2-one
SMILESCC/C=C1\C=C(/C=C/CO)C(=O)O1
InChIInChI=1S/C10H12O3/c1-2-4-9-7-8(5-3-6-11)10(12)13-9/h3-5,7,11H,2,6H2,1H3/b5-3+,9-4+
InChIKeyYGPGUEZTBZXORL-BMVOEDMYSA-N
MW180.20 g/mol
LogP1.31
Rot. Bonds3

About (5E)-3-[(E)-3-hydroxyprop-1-enyl]-5-propylidenefuran-2-one

(5E)-3-[(E)-3-hydroxyprop-1-enyl]-5-propylidenefuran-2-one (PubChem CID 10888517) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (5E)-3-[(E)-3-hydroxyprop-1-enyl]-5-propylidenefuran-2-one.

Molecular Properties

Compound Name(5E)-3-[(E)-3-hydroxyprop-1-enyl]-5-propylidenefuran-2-one
PubChem CID10888517
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(5E)-3-[(E)-3-hydroxyprop-1-enyl]-5-propylidenefuran-2-one
SMILESCC/C=C1\C=C(/C=C/CO)C(=O)O1
InChIInChI=1S/C10H12O3/c1-2-4-9-7-8(5-3-6-11)10(12)13-9/h3-5,7,11H,2,6H2,1H3/b5-3+,9-4+
InChIKeyYGPGUEZTBZXORL-BMVOEDMYSA-N
XLogP1.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ascladiol
CID 6440900
3-[(E)-3-hydroxybut-1-enyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one
CID 86573697
Lissoclinolide
CID 5472800
Npc161706
CID 11241196
Stemphypyrone
CID 24041595
Marilactone
CID 54719445
Desmethylnectriapyrone
CID 54689128
Rosellisin
CID 5358551
Bombardolide C
CID 10330245
Bombardolide D
CID 10375070
Cladobotrin VI
CID 10059573
Hydroxypestalopyrone
CID 44587537

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(E)-3-hydroxyprop-1-enyl]-5-propylidenefuran-2-one?
The IUPAC name of (5E)-3-[(E)-3-hydroxyprop-1-enyl]-5-propylidenefuran-2-one (CID 10888517) is (5E)-3-[(E)-3-hydroxyprop-1-enyl]-5-propylidenefuran-2-one.
What is the SMILES notation for (5E)-3-[(E)-3-hydroxyprop-1-enyl]-5-propylidenefuran-2-one?
The canonical SMILES for (5E)-3-[(E)-3-hydroxyprop-1-enyl]-5-propylidenefuran-2-one is CC/C=C1\C=C(/C=C/CO)C(=O)O1.
What is the InChIKey of (5E)-3-[(E)-3-hydroxyprop-1-enyl]-5-propylidenefuran-2-one?
The InChIKey is YGPGUEZTBZXORL-BMVOEDMYSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-4-9-7-8(5-3-6-11)10(12)13-9/h3-5,7,11H,2,6H2,1H3/b5-3+,9-4+.
What are the key properties of (5E)-3-[(E)-3-hydroxyprop-1-enyl]-5-propylidenefuran-2-one?
(5E)-3-[(E)-3-hydroxyprop-1-enyl]-5-propylidenefuran-2-one has a molecular weight of 180.20 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(E)-3-hydroxyprop-1-enyl]-5-propylidenefuran-2-one is sourced from PubChem (CID 10888517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).