3-[4-[(Z)-prop-1-enyl]-2,3-dihydrofuran-5-yl]but-3-en-2-one

C11H14O2 — CID 145493838

IUPAC3-[4-[(Z)-prop-1-enyl]-2,3-dihydrofuran-5-yl]but-3-en-2-one
SMILESC=C(C(C)=O)C1=C(/C=C\C)CCO1
InChIInChI=1S/C11H14O2/c1-4-5-10-6-7-13-11(10)8(2)9(3)12/h4-5H,2,6-7H2,1,3H3/b5-4-
InChIKeyHSNNSDYJLJXULM-PLNGDYQASA-N
MW178.23 g/mol
LogP2.38
Rot. Bonds3

About 3-[4-[(Z)-prop-1-enyl]-2,3-dihydrofuran-5-yl]but-3-en-2-one

3-[4-[(Z)-prop-1-enyl]-2,3-dihydrofuran-5-yl]but-3-en-2-one (PubChem CID 145493838) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-[4-[(Z)-prop-1-enyl]-2,3-dihydrofuran-5-yl]but-3-en-2-one.

Molecular Properties

Compound Name3-[4-[(Z)-prop-1-enyl]-2,3-dihydrofuran-5-yl]but-3-en-2-one
PubChem CID145493838
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3-[4-[(Z)-prop-1-enyl]-2,3-dihydrofuran-5-yl]but-3-en-2-one
SMILESC=C(C(C)=O)C1=C(/C=C\C)CCO1
InChIInChI=1S/C11H14O2/c1-4-5-10-6-7-13-11(10)8(2)9(3)12/h4-5H,2,6-7H2,1,3H3/b5-4-
InChIKeyHSNNSDYJLJXULM-PLNGDYQASA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(Z)-prop-1-enyl]-2,3-dihydrofuran-5-yl]but-3-en-2-one?
The IUPAC name of 3-[4-[(Z)-prop-1-enyl]-2,3-dihydrofuran-5-yl]but-3-en-2-one (CID 145493838) is 3-[4-[(Z)-prop-1-enyl]-2,3-dihydrofuran-5-yl]but-3-en-2-one.
What is the SMILES notation for 3-[4-[(Z)-prop-1-enyl]-2,3-dihydrofuran-5-yl]but-3-en-2-one?
The canonical SMILES for 3-[4-[(Z)-prop-1-enyl]-2,3-dihydrofuran-5-yl]but-3-en-2-one is C=C(C(C)=O)C1=C(/C=C\C)CCO1.
What is the InChIKey of 3-[4-[(Z)-prop-1-enyl]-2,3-dihydrofuran-5-yl]but-3-en-2-one?
The InChIKey is HSNNSDYJLJXULM-PLNGDYQASA-N. The full InChI is InChI=1S/C11H14O2/c1-4-5-10-6-7-13-11(10)8(2)9(3)12/h4-5H,2,6-7H2,1,3H3/b5-4-.
What are the key properties of 3-[4-[(Z)-prop-1-enyl]-2,3-dihydrofuran-5-yl]but-3-en-2-one?
3-[4-[(Z)-prop-1-enyl]-2,3-dihydrofuran-5-yl]but-3-en-2-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-[4-[(Z)-prop-1-enyl]-2,3-dihydrofuran-5-yl]but-3-en-2-one is sourced from PubChem (CID 145493838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).