(2R)-2-but-3-enyl-4-[(E)-prop-1-enyl]-2H-furan-5-one

C11H14O2 — CID 10241367

IUPAC(2R)-2-but-3-enyl-4-[(E)-prop-1-enyl]-2H-furan-5-one
SMILESC=CCC[C@@H]1C=C(/C=C/C)C(=O)O1
InChIInChI=1S/C11H14O2/c1-3-5-7-10-8-9(6-4-2)11(12)13-10/h3-4,6,8,10H,1,5,7H2,2H3/b6-4+/t10-/m1/s1
InChIKeyBJPQUMCGDYCEDF-DFVUYQKZSA-N
MW178.23 g/mol
LogP2.38
Rot. Bonds4

About (2R)-2-but-3-enyl-4-[(E)-prop-1-enyl]-2H-furan-5-one

(2R)-2-but-3-enyl-4-[(E)-prop-1-enyl]-2H-furan-5-one (PubChem CID 10241367) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2R)-2-but-3-enyl-4-[(E)-prop-1-enyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-but-3-enyl-4-[(E)-prop-1-enyl]-2H-furan-5-one
PubChem CID10241367
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(2R)-2-but-3-enyl-4-[(E)-prop-1-enyl]-2H-furan-5-one
SMILESC=CCC[C@@H]1C=C(/C=C/C)C(=O)O1
InChIInChI=1S/C11H14O2/c1-3-5-7-10-8-9(6-4-2)11(12)13-10/h3-4,6,8,10H,1,5,7H2,2H3/b6-4+/t10-/m1/s1
InChIKeyBJPQUMCGDYCEDF-DFVUYQKZSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-N-Butyl-4,5-Dihydrophthalide
CID 173843
6-propyl-5,6-dihydro-2H-pyran-2-one
CID 13949543
Taraxacin
CID 5241825
3-[(E)-3-hydroxybut-1-enyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one
CID 86573697
(S,E)-3-(Dodeca-1,11-dien-1-yl)-5-methylfuran-2(5H)-one
CID 10879902
3-N-butyl-4,5-dihydrophthalide, (S)-
CID 3085257
(2S,3S)-2-[(1E,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]-3-methyl-2,3-dihydropyran-6-one
CID 137650531
Akolactone A
CID 10085746
Bombardolide D
CID 10375070
Manshurolide
CID 14527198
Litsealactone A
CID 9994397
Akolactone B
CID 44566941

Frequently Asked Questions

What is the IUPAC name of (2R)-2-but-3-enyl-4-[(E)-prop-1-enyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-but-3-enyl-4-[(E)-prop-1-enyl]-2H-furan-5-one (CID 10241367) is (2R)-2-but-3-enyl-4-[(E)-prop-1-enyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-but-3-enyl-4-[(E)-prop-1-enyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-but-3-enyl-4-[(E)-prop-1-enyl]-2H-furan-5-one is C=CCC[C@@H]1C=C(/C=C/C)C(=O)O1.
What is the InChIKey of (2R)-2-but-3-enyl-4-[(E)-prop-1-enyl]-2H-furan-5-one?
The InChIKey is BJPQUMCGDYCEDF-DFVUYQKZSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-5-7-10-8-9(6-4-2)11(12)13-10/h3-4,6,8,10H,1,5,7H2,2H3/b6-4+/t10-/m1/s1.
What are the key properties of (2R)-2-but-3-enyl-4-[(E)-prop-1-enyl]-2H-furan-5-one?
(2R)-2-but-3-enyl-4-[(E)-prop-1-enyl]-2H-furan-5-one has a molecular weight of 178.23 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-but-3-enyl-4-[(E)-prop-1-enyl]-2H-furan-5-one is sourced from PubChem (CID 10241367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).