2-(2-prop-2-enoyloxyethyl)-3H-thiophene-2-carboxylic acid

C10H12O4S — CID 67621273

IUPAC2-(2-prop-2-enoyloxyethyl)-3H-thiophene-2-carboxylic acid
SMILESC=CC(=O)OCCC1(C(=O)O)CC=CS1
InChIInChI=1S/C10H12O4S/c1-2-8(11)14-6-5-10(9(12)13)4-3-7-15-10/h2-3,7H,1,4-6H2,(H,12,13)
InChIKeyPXOWABWVHZNYRL-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.58
Rot. Bonds5

About 2-(2-prop-2-enoyloxyethyl)-3H-thiophene-2-carboxylic acid

2-(2-prop-2-enoyloxyethyl)-3H-thiophene-2-carboxylic acid (PubChem CID 67621273) has the molecular formula C10H12O4S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-(2-prop-2-enoyloxyethyl)-3H-thiophene-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-prop-2-enoyloxyethyl)-3H-thiophene-2-carboxylic acid
PubChem CID67621273
Molecular FormulaC10H12O4S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Name2-(2-prop-2-enoyloxyethyl)-3H-thiophene-2-carboxylic acid
SMILESC=CC(=O)OCCC1(C(=O)O)CC=CS1
InChIInChI=1S/C10H12O4S/c1-2-8(11)14-6-5-10(9(12)13)4-3-7-15-10/h2-3,7H,1,4-6H2,(H,12,13)
InChIKeyPXOWABWVHZNYRL-UHFFFAOYSA-N
XLogP1.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-prop-2-enoyloxyethyl)-3H-thiophene-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

Related Compounds

2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
1,3,5-tris(6-prop-2-enoyloxyhexyl)cyclohexane-1,3,5-tricarboxylic acid
CID 70541878
1-methyl-6-(2-prop-2-enoyloxyethoxycarbonyl)cyclohex-2-ene-1-carboxylic acid
CID 21331365
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-chloroethyl prop-2-enoate;ruthenium
CID 90254573
2-chloroethyl prop-2-enoate
CID 16627
carbamic acid;propyl prop-2-enoate
CID 87571569
but-2-enedioic acid;2-hydroxyethyl prop-2-enoate
CID 173025199
2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid
CID 54300292
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoyloxyethyl)-3H-thiophene-2-carboxylic acid?
The IUPAC name of 2-(2-prop-2-enoyloxyethyl)-3H-thiophene-2-carboxylic acid (CID 67621273) is 2-(2-prop-2-enoyloxyethyl)-3H-thiophene-2-carboxylic acid.
What is the SMILES notation for 2-(2-prop-2-enoyloxyethyl)-3H-thiophene-2-carboxylic acid?
The canonical SMILES for 2-(2-prop-2-enoyloxyethyl)-3H-thiophene-2-carboxylic acid is C=CC(=O)OCCC1(C(=O)O)CC=CS1.
What is the InChIKey of 2-(2-prop-2-enoyloxyethyl)-3H-thiophene-2-carboxylic acid?
The InChIKey is PXOWABWVHZNYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4S/c1-2-8(11)14-6-5-10(9(12)13)4-3-7-15-10/h2-3,7H,1,4-6H2,(H,12,13).
What are the key properties of 2-(2-prop-2-enoyloxyethyl)-3H-thiophene-2-carboxylic acid?
2-(2-prop-2-enoyloxyethyl)-3H-thiophene-2-carboxylic acid has a molecular weight of 228.27 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoyloxyethyl)-3H-thiophene-2-carboxylic acid is sourced from PubChem (CID 67621273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).