(2-oxooxolan-3-yl) prop-2-enoate

C7H8O4 — CID 11959825

IUPAC(2-oxooxolan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1CCOC1=O
InChIInChI=1S/C7H8O4/c1-2-6(8)11-5-3-4-10-7(5)9/h2,5H,1,3-4H2
InChIKeyMWMWRSCIFDZZGW-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.03
Rot. Bonds2

About (2-oxooxolan-3-yl) prop-2-enoate

(2-oxooxolan-3-yl) prop-2-enoate (PubChem CID 11959825) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) prop-2-enoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) prop-2-enoate
PubChem CID11959825
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name(2-oxooxolan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1CCOC1=O
InChIInChI=1S/C7H8O4/c1-2-6(8)11-5-3-4-10-7(5)9/h2,5H,1,3-4H2
InChIKeyMWMWRSCIFDZZGW-UHFFFAOYSA-N
XLogP0.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) prop-2-enoate?
The IUPAC name of (2-oxooxolan-3-yl) prop-2-enoate (CID 11959825) is (2-oxooxolan-3-yl) prop-2-enoate.
What is the SMILES notation for (2-oxooxolan-3-yl) prop-2-enoate?
The canonical SMILES for (2-oxooxolan-3-yl) prop-2-enoate is C=CC(=O)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) prop-2-enoate?
The InChIKey is MWMWRSCIFDZZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-2-6(8)11-5-3-4-10-7(5)9/h2,5H,1,3-4H2.
What are the key properties of (2-oxooxolan-3-yl) prop-2-enoate?
(2-oxooxolan-3-yl) prop-2-enoate has a molecular weight of 156.14 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) prop-2-enoate is sourced from PubChem (CID 11959825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).