[(3R)-2-oxooxolan-3-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate

C15H12O4S2 — CID 2360279

IUPAC[(3R)-2-oxooxolan-3-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
SMILESO=C(O[C@@H]1CCOC1=O)/C(=C/c1cccs1)c1cccs1
InChIInChI=1S/C15H12O4S2/c16-14(19-12-5-6-18-15(12)17)11(13-4-2-8-21-13)9-10-3-1-7-20-10/h1-4,7-9,12H,5-6H2/b11-9+/t12-/m1/s1
InChIKeyKJDQFLACRDOZLI-LMMOQWNQSA-N
MW320.39 g/mol
LogP3.21
Rot. Bonds4

About [(3R)-2-oxooxolan-3-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate

[(3R)-2-oxooxolan-3-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate (PubChem CID 2360279) has the molecular formula C15H12O4S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
PubChem CID2360279
Molecular FormulaC15H12O4S2
Molecular Weight320.39 g/mol
Exact Mass320.02
IUPAC Name[(3R)-2-oxooxolan-3-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
SMILESO=C(O[C@@H]1CCOC1=O)/C(=C/c1cccs1)c1cccs1
InChIInChI=1S/C15H12O4S2/c16-14(19-12-5-6-18-15(12)17)11(13-4-2-8-21-13)9-10-3-1-7-20-10/h1-4,7-9,12H,5-6H2/b11-9+/t12-/m1/s1
InChIKeyKJDQFLACRDOZLI-LMMOQWNQSA-N
XLogP3.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-oxooxolan-3-yl) 2,3-dithiophen-2-ylprop-2-enoate
CID 3626958
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 8819586
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 8819381
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 7416869
[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 7416764
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 8819427
(2-oxo-2-piperidin-1-ylethyl) (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 2363001
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 8819784
[(3S)-2-oxooxolan-3-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 2579305
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 8819801
(2-oxooxolan-3-yl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 4310835
(5-phenyl-1,2-oxazol-3-yl)methyl (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 9491108

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate (CID 2360279) is [(3R)-2-oxooxolan-3-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate is O=C(O[C@@H]1CCOC1=O)/C(=C/c1cccs1)c1cccs1.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate?
The InChIKey is KJDQFLACRDOZLI-LMMOQWNQSA-N. The full InChI is InChI=1S/C15H12O4S2/c16-14(19-12-5-6-18-15(12)17)11(13-4-2-8-21-13)9-10-3-1-7-20-10/h1-4,7-9,12H,5-6H2/b11-9+/t12-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate?
[(3R)-2-oxooxolan-3-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate has a molecular weight of 320.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate is sourced from PubChem (CID 2360279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).