3-(3-oxobutyl)-4-prop-1-enyl-2H-furan-5-one

C11H14O3 — CID 163063743

IUPAC3-(3-oxobutyl)-4-prop-1-enyl-2H-furan-5-one
SMILESCC=CC1=C(CCC(C)=O)COC1=O
InChIInChI=1S/C11H14O3/c1-3-4-10-9(6-5-8(2)12)7-14-11(10)13/h3-4H,5-7H2,1-2H3
InChIKeyCYBXGUDOSRPABU-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.79
Rot. Bonds4

About 3-(3-oxobutyl)-4-prop-1-enyl-2H-furan-5-one

3-(3-oxobutyl)-4-prop-1-enyl-2H-furan-5-one (PubChem CID 163063743) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(3-oxobutyl)-4-prop-1-enyl-2H-furan-5-one.

Molecular Properties

Compound Name3-(3-oxobutyl)-4-prop-1-enyl-2H-furan-5-one
PubChem CID163063743
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-(3-oxobutyl)-4-prop-1-enyl-2H-furan-5-one
SMILESCC=CC1=C(CCC(C)=O)COC1=O
InChIInChI=1S/C11H14O3/c1-3-4-10-9(6-5-8(2)12)7-14-11(10)13/h3-4H,5-7H2,1-2H3
InChIKeyCYBXGUDOSRPABU-UHFFFAOYSA-N
XLogP1.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxobutyl)-4-prop-1-enyl-2H-furan-5-one?
The IUPAC name of 3-(3-oxobutyl)-4-prop-1-enyl-2H-furan-5-one (CID 163063743) is 3-(3-oxobutyl)-4-prop-1-enyl-2H-furan-5-one.
What is the SMILES notation for 3-(3-oxobutyl)-4-prop-1-enyl-2H-furan-5-one?
The canonical SMILES for 3-(3-oxobutyl)-4-prop-1-enyl-2H-furan-5-one is CC=CC1=C(CCC(C)=O)COC1=O.
What is the InChIKey of 3-(3-oxobutyl)-4-prop-1-enyl-2H-furan-5-one?
The InChIKey is CYBXGUDOSRPABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-4-10-9(6-5-8(2)12)7-14-11(10)13/h3-4H,5-7H2,1-2H3.
What are the key properties of 3-(3-oxobutyl)-4-prop-1-enyl-2H-furan-5-one?
3-(3-oxobutyl)-4-prop-1-enyl-2H-furan-5-one has a molecular weight of 194.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxobutyl)-4-prop-1-enyl-2H-furan-5-one is sourced from PubChem (CID 163063743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).