3-but-1-enyl-4-prop-1-enyl-2H-furan-5-one

C11H14O2 — CID 139583515

IUPAC3-but-1-enyl-4-prop-1-enyl-2H-furan-5-one
SMILESCC=CC1=C(C=CCC)COC1=O
InChIInChI=1S/C11H14O2/c1-3-5-7-9-8-13-11(12)10(9)6-4-2/h4-7H,3,8H2,1-2H3
InChIKeyLUTAEYHZVSOFCK-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.38
Rot. Bonds3

About 3-but-1-enyl-4-prop-1-enyl-2H-furan-5-one

3-but-1-enyl-4-prop-1-enyl-2H-furan-5-one (PubChem CID 139583515) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-but-1-enyl-4-prop-1-enyl-2H-furan-5-one.

Molecular Properties

Compound Name3-but-1-enyl-4-prop-1-enyl-2H-furan-5-one
PubChem CID139583515
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3-but-1-enyl-4-prop-1-enyl-2H-furan-5-one
SMILESCC=CC1=C(C=CCC)COC1=O
InChIInChI=1S/C11H14O2/c1-3-5-7-9-8-13-11(12)10(9)6-4-2/h4-7H,3,8H2,1-2H3
InChIKeyLUTAEYHZVSOFCK-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-but-1-enyl-4-prop-1-enyl-2H-furan-5-one?
The IUPAC name of 3-but-1-enyl-4-prop-1-enyl-2H-furan-5-one (CID 139583515) is 3-but-1-enyl-4-prop-1-enyl-2H-furan-5-one.
What is the SMILES notation for 3-but-1-enyl-4-prop-1-enyl-2H-furan-5-one?
The canonical SMILES for 3-but-1-enyl-4-prop-1-enyl-2H-furan-5-one is CC=CC1=C(C=CCC)COC1=O.
What is the InChIKey of 3-but-1-enyl-4-prop-1-enyl-2H-furan-5-one?
The InChIKey is LUTAEYHZVSOFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-5-7-9-8-13-11(12)10(9)6-4-2/h4-7H,3,8H2,1-2H3.
What are the key properties of 3-but-1-enyl-4-prop-1-enyl-2H-furan-5-one?
3-but-1-enyl-4-prop-1-enyl-2H-furan-5-one has a molecular weight of 178.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-1-enyl-4-prop-1-enyl-2H-furan-5-one is sourced from PubChem (CID 139583515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).