3-[(E)-1-(furan-2-yl)prop-1-en-2-yl]oxolane-2,5-dione

C11H10O4 — CID 178197435

IUPAC3-[(E)-1-(furan-2-yl)prop-1-en-2-yl]oxolane-2,5-dione
SMILESC/C(=C\c1ccco1)C1CC(=O)OC1=O
InChIInChI=1S/C11H10O4/c1-7(5-8-3-2-4-14-8)9-6-10(12)15-11(9)13/h2-5,9H,6H2,1H3/b7-5+
InChIKeyGCYZPGQMTGKDDW-FNORWQNLSA-N
MW206.20 g/mol
LogP1.77
Rot. Bonds2

About 3-[(E)-1-(furan-2-yl)prop-1-en-2-yl]oxolane-2,5-dione

3-[(E)-1-(furan-2-yl)prop-1-en-2-yl]oxolane-2,5-dione (PubChem CID 178197435) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-[(E)-1-(furan-2-yl)prop-1-en-2-yl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[(E)-1-(furan-2-yl)prop-1-en-2-yl]oxolane-2,5-dione
PubChem CID178197435
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name3-[(E)-1-(furan-2-yl)prop-1-en-2-yl]oxolane-2,5-dione
SMILESC/C(=C\c1ccco1)C1CC(=O)OC1=O
InChIInChI=1S/C11H10O4/c1-7(5-8-3-2-4-14-8)9-6-10(12)15-11(9)13/h2-5,9H,6H2,1H3/b7-5+
InChIKeyGCYZPGQMTGKDDW-FNORWQNLSA-N
XLogP1.77
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-acetyl-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]oxolan-2-one
CID 100982900
2-[(4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid
CID 136882294
(4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136697876
(4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 95144233
(4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136713742
(2Z)-2-(furan-2-ylmethylidene)-3-oxobutanoic acid
CID 18595236
2-[1-(furan-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine
CID 2999841
(E)-1-diazo-4-(furan-2-yl)-3-methylbut-3-en-2-one
CID 135949130
(E)-3-(furan-2-yl)-2-methyl-1-piperazin-1-ylprop-2-en-1-one
CID 70591548
N-[1-cyano-2-(furan-2-yl)ethenyl]acetamide
CID 85106709
(E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine
CID 55254010
(2E)-2-(furan-2-ylmethylidene)-3-methylbutanal
CID 82111259

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-(furan-2-yl)prop-1-en-2-yl]oxolane-2,5-dione?
The IUPAC name of 3-[(E)-1-(furan-2-yl)prop-1-en-2-yl]oxolane-2,5-dione (CID 178197435) is 3-[(E)-1-(furan-2-yl)prop-1-en-2-yl]oxolane-2,5-dione.
What is the SMILES notation for 3-[(E)-1-(furan-2-yl)prop-1-en-2-yl]oxolane-2,5-dione?
The canonical SMILES for 3-[(E)-1-(furan-2-yl)prop-1-en-2-yl]oxolane-2,5-dione is C/C(=C\c1ccco1)C1CC(=O)OC1=O.
What is the InChIKey of 3-[(E)-1-(furan-2-yl)prop-1-en-2-yl]oxolane-2,5-dione?
The InChIKey is GCYZPGQMTGKDDW-FNORWQNLSA-N. The full InChI is InChI=1S/C11H10O4/c1-7(5-8-3-2-4-14-8)9-6-10(12)15-11(9)13/h2-5,9H,6H2,1H3/b7-5+.
What are the key properties of 3-[(E)-1-(furan-2-yl)prop-1-en-2-yl]oxolane-2,5-dione?
3-[(E)-1-(furan-2-yl)prop-1-en-2-yl]oxolane-2,5-dione has a molecular weight of 206.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-(furan-2-yl)prop-1-en-2-yl]oxolane-2,5-dione is sourced from PubChem (CID 178197435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).