3-methyl-2-prop-2-enyloxirane-2-carboxylic acid

C7H10O3 — CID 54200607

IUPAC3-methyl-2-prop-2-enyloxirane-2-carboxylic acid
SMILESC=CCC1(C(=O)O)OC1C
InChIInChI=1S/C7H10O3/c1-3-4-7(6(8)9)5(2)10-7/h3,5H,1,4H2,2H3,(H,8,9)
InChIKeyPOYTXXKVQOLBNM-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.80
Rot. Bonds3

About 3-methyl-2-prop-2-enyloxirane-2-carboxylic acid

3-methyl-2-prop-2-enyloxirane-2-carboxylic acid (PubChem CID 54200607) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3-methyl-2-prop-2-enyloxirane-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-prop-2-enyloxirane-2-carboxylic acid
PubChem CID54200607
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3-methyl-2-prop-2-enyloxirane-2-carboxylic acid
SMILESC=CCC1(C(=O)O)OC1C
InChIInChI=1S/C7H10O3/c1-3-4-7(6(8)9)5(2)10-7/h3,5H,1,4H2,2H3,(H,8,9)
InChIKeyPOYTXXKVQOLBNM-UHFFFAOYSA-N
XLogP0.80
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-methyl-2-prop-2-enyloxirane-2-carboxylic acid 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 3-methyl-2-prop-2-enyloxirane-2-carboxylic acid?
The IUPAC name of 3-methyl-2-prop-2-enyloxirane-2-carboxylic acid (CID 54200607) is 3-methyl-2-prop-2-enyloxirane-2-carboxylic acid.
What is the SMILES notation for 3-methyl-2-prop-2-enyloxirane-2-carboxylic acid?
The canonical SMILES for 3-methyl-2-prop-2-enyloxirane-2-carboxylic acid is C=CCC1(C(=O)O)OC1C.
What is the InChIKey of 3-methyl-2-prop-2-enyloxirane-2-carboxylic acid?
The InChIKey is POYTXXKVQOLBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-4-7(6(8)9)5(2)10-7/h3,5H,1,4H2,2H3,(H,8,9).
What are the key properties of 3-methyl-2-prop-2-enyloxirane-2-carboxylic acid?
3-methyl-2-prop-2-enyloxirane-2-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-prop-2-enyloxirane-2-carboxylic acid is sourced from PubChem (CID 54200607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).