3-methoxy-2-prop-1-en-2-yl-2H-furan-5-one

C8H10O3 — CID 117066646

IUPAC3-methoxy-2-prop-1-en-2-yl-2H-furan-5-one
SMILESC=C(C)C1OC(=O)C=C1OC
InChIInChI=1S/C8H10O3/c1-5(2)8-6(10-3)4-7(9)11-8/h4,8H,1H2,2-3H3
InChIKeyMFTHCVVPOOJCCD-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.02
Rot. Bonds2

About 3-methoxy-2-prop-1-en-2-yl-2H-furan-5-one

3-methoxy-2-prop-1-en-2-yl-2H-furan-5-one (PubChem CID 117066646) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3-methoxy-2-prop-1-en-2-yl-2H-furan-5-one.

Molecular Properties

Compound Name3-methoxy-2-prop-1-en-2-yl-2H-furan-5-one
PubChem CID117066646
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3-methoxy-2-prop-1-en-2-yl-2H-furan-5-one
SMILESC=C(C)C1OC(=O)C=C1OC
InChIInChI=1S/C8H10O3/c1-5(2)8-6(10-3)4-7(9)11-8/h4,8H,1H2,2-3H3
InChIKeyMFTHCVVPOOJCCD-UHFFFAOYSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-hydroxy-4-methoxy-2,3-dihydropyran-6-one
CID 95224942
(2-bromo-5-oxo-2H-furan-3-yl) acetate
CID 14526742
3-methoxy-2-(2-methyl-3-sulfanylpropyl)-2H-furan-5-one
CID 86598374
(2S)-3-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-furan-5-one
CID 10085697
2-(1,1-dimethoxy-2-oxo-3-phenylpropyl)-3-methoxy-2H-furan-5-one
CID 86150262
ethyl 3-methyl-5-oxo-2H-furan-2-carboxylate
CID 10986688
2-methyl-3-propan-2-yloxy-2H-furan-5-one
CID 10678466
(2S,3R)-4-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-methyl-2-prop-1-en-2-yl-2,3-dihydropyran-6-one
CID 10857862
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3,4-dimethoxy-2,3-dihydropyran-6-one
CID 5371651
(4R,5R)-4-hydroxy-3-methoxy-5-methylcyclopent-2-en-1-one
CID 130912072
5-hydroxy-4-methoxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 75971482
methyl (2S,3S)-2,4-dimethyl-6-oxo-2,3-dihydropyran-3-carboxylate
CID 100968383

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-prop-1-en-2-yl-2H-furan-5-one?
The IUPAC name of 3-methoxy-2-prop-1-en-2-yl-2H-furan-5-one (CID 117066646) is 3-methoxy-2-prop-1-en-2-yl-2H-furan-5-one.
What is the SMILES notation for 3-methoxy-2-prop-1-en-2-yl-2H-furan-5-one?
The canonical SMILES for 3-methoxy-2-prop-1-en-2-yl-2H-furan-5-one is C=C(C)C1OC(=O)C=C1OC.
What is the InChIKey of 3-methoxy-2-prop-1-en-2-yl-2H-furan-5-one?
The InChIKey is MFTHCVVPOOJCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5(2)8-6(10-3)4-7(9)11-8/h4,8H,1H2,2-3H3.
What are the key properties of 3-methoxy-2-prop-1-en-2-yl-2H-furan-5-one?
3-methoxy-2-prop-1-en-2-yl-2H-furan-5-one has a molecular weight of 154.16 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-prop-1-en-2-yl-2H-furan-5-one is sourced from PubChem (CID 117066646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).