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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Related Compounds

4,5-bis[(Z)-prop-1-enyl]-2,3-dihydrofuran;ethane
CID 145446824
5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyran-6-one
CID 139354471
4,5-bis(prop-1-en-2-yl)-2,3-dihydrofuran
CID 143818485
ethane;1-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3,6,7-tetrahydroazepin-1-yl]ethanone
CID 145342041
6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran
CID 70273510
sodium;2-methylprop-2-enoate;oxetan-2-one
CID 174930235
4-[(1Z)-2,3-dimethylbuta-1,3-dienyl]-5-[(Z)-prop-1-enyl]-2,3,6,7-tetrahydro-1H-azepine
CID 163726327
2-(1-bromoethenyl)-4-methyl-3-[(Z)-prop-1-enyl]-6,7-dihydro-5H-1,4-oxazepine
CID 156800278
1,2-bis[(Z)-prop-1-enyl]cyclohexene;ethane
CID 144583134
5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxine
CID 146396950
3-(cyclopenten-1-yl)but-3-en-2-one
CID 130028502
1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one
CID 163241797

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).