(2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate

C7H8O5 — CID 18353926

IUPAC(2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1COC(=O)O1
InChIInChI=1S/C7H8O5/c1-2-6(8)10-3-5-4-11-7(9)12-5/h2,5H,1,3-4H2
InChIKeyNAQYVERIASFLDB-UHFFFAOYSA-N
MW172.14 g/mol
LogP0.25
Rot. Bonds3

About (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate

(2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate (PubChem CID 18353926) has the molecular formula C7H8O5 and a molecular weight of 172.14 g/mol. Its IUPAC name is (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate.

Molecular Properties

Compound Name(2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate
PubChem CID18353926
Molecular FormulaC7H8O5
Molecular Weight172.14 g/mol
Exact Mass172.04
IUPAC Name(2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1COC(=O)O1
InChIInChI=1S/C7H8O5/c1-2-6(8)10-3-5-4-11-7(9)12-5/h2,5H,1,3-4H2
InChIKeyNAQYVERIASFLDB-UHFFFAOYSA-N
XLogP0.25
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate?
The IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate (CID 18353926) is (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate.
What is the SMILES notation for (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate?
The canonical SMILES for (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate is C=CC(=O)OCC1COC(=O)O1.
What is the InChIKey of (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate?
The InChIKey is NAQYVERIASFLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O5/c1-2-6(8)10-3-5-4-11-7(9)12-5/h2,5H,1,3-4H2.
What are the key properties of (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate?
(2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate has a molecular weight of 172.14 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate is sourced from PubChem (CID 18353926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).