[(3S)-2-oxooxolan-3-yl] (E)-3-(furan-2-yl)prop-2-enoate

C11H10O5 — CID 2377146

IUPAC[(3S)-2-oxooxolan-3-yl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(/C=C/c1ccco1)O[C@H]1CCOC1=O
InChIInChI=1S/C11H10O5/c12-10(4-3-8-2-1-6-14-8)16-9-5-7-15-11(9)13/h1-4,6,9H,5,7H2/b4-3+/t9-/m0/s1
InChIKeyJCZKJWFHWRENSC-NWALNABHSA-N
MW222.20 g/mol
LogP1.15
Rot. Bonds3

About [(3S)-2-oxooxolan-3-yl] (E)-3-(furan-2-yl)prop-2-enoate

[(3S)-2-oxooxolan-3-yl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 2377146) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID2377146
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name[(3S)-2-oxooxolan-3-yl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(/C=C/c1ccco1)O[C@H]1CCOC1=O
InChIInChI=1S/C11H10O5/c12-10(4-3-8-2-1-6-14-8)16-9-5-7-15-11(9)13/h1-4,6,9H,5,7H2/b4-3+/t9-/m0/s1
InChIKeyJCZKJWFHWRENSC-NWALNABHSA-N
XLogP1.15
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-2-oxooxolan-3-yl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 7812286
[(3S)-2-oxooxolan-3-yl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 7907500
[(3S)-2-oxooxolan-3-yl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate
CID 7881464
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
(1-methylpiperidin-1-ium-3-yl) 3-(furan-2-yl)prop-2-enoate
CID 3959855
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
[(3R)-2-oxooxolan-3-yl] (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)prop-2-enoate
CID 8979905
CID 59090942
CID 59090942
(E)-N-cyclopropyl-3-(furan-2-yl)prop-2-enamide
CID 963880
(2-formylphenyl) 3-(furan-2-yl)prop-2-enoate
CID 888865
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 139256760

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] (E)-3-(furan-2-yl)prop-2-enoate (CID 2377146) is [(3S)-2-oxooxolan-3-yl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] (E)-3-(furan-2-yl)prop-2-enoate is O=C(/C=C/c1ccco1)O[C@H]1CCOC1=O.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is JCZKJWFHWRENSC-NWALNABHSA-N. The full InChI is InChI=1S/C11H10O5/c12-10(4-3-8-2-1-6-14-8)16-9-5-7-15-11(9)13/h1-4,6,9H,5,7H2/b4-3+/t9-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] (E)-3-(furan-2-yl)prop-2-enoate?
[(3S)-2-oxooxolan-3-yl] (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 222.20 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 2377146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).