3-(2-methylprop-2-enoyl)oxolan-2-one

C8H10O3 — CID 22492738

IUPAC3-(2-methylprop-2-enoyl)oxolan-2-one
SMILESC=C(C)C(=O)C1CCOC1=O
InChIInChI=1S/C8H10O3/c1-5(2)7(9)6-3-4-11-8(6)10/h6H,1,3-4H2,2H3
InChIKeyREKXXJUJQYYEPL-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.69
Rot. Bonds2

About 3-(2-methylprop-2-enoyl)oxolan-2-one

3-(2-methylprop-2-enoyl)oxolan-2-one (PubChem CID 22492738) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoyl)oxolan-2-one.

Molecular Properties

Compound Name3-(2-methylprop-2-enoyl)oxolan-2-one
PubChem CID22492738
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3-(2-methylprop-2-enoyl)oxolan-2-one
SMILESC=C(C)C(=O)C1CCOC1=O
InChIInChI=1S/C8H10O3/c1-5(2)7(9)6-3-4-11-8(6)10/h6H,1,3-4H2,2H3
InChIKeyREKXXJUJQYYEPL-UHFFFAOYSA-N
XLogP0.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoyl)oxolan-2-one?
The IUPAC name of 3-(2-methylprop-2-enoyl)oxolan-2-one (CID 22492738) is 3-(2-methylprop-2-enoyl)oxolan-2-one.
What is the SMILES notation for 3-(2-methylprop-2-enoyl)oxolan-2-one?
The canonical SMILES for 3-(2-methylprop-2-enoyl)oxolan-2-one is C=C(C)C(=O)C1CCOC1=O.
What is the InChIKey of 3-(2-methylprop-2-enoyl)oxolan-2-one?
The InChIKey is REKXXJUJQYYEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5(2)7(9)6-3-4-11-8(6)10/h6H,1,3-4H2,2H3.
What are the key properties of 3-(2-methylprop-2-enoyl)oxolan-2-one?
3-(2-methylprop-2-enoyl)oxolan-2-one has a molecular weight of 154.16 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoyl)oxolan-2-one is sourced from PubChem (CID 22492738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).