methyl 2-(2-prop-2-enyl-3H-thiophen-2-yl)acetate

C10H14O2S — CID 141007626

IUPACmethyl 2-(2-prop-2-enyl-3H-thiophen-2-yl)acetate
SMILESC=CCC1(CC(=O)OC)CC=CS1
InChIInChI=1S/C10H14O2S/c1-3-5-10(6-4-7-13-10)8-9(11)12-2/h3-4,7H,1,5-6,8H2,2H3
InChIKeyUGSAMSPINYRXBB-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.52
Rot. Bonds4

About methyl 2-(2-prop-2-enyl-3H-thiophen-2-yl)acetate

methyl 2-(2-prop-2-enyl-3H-thiophen-2-yl)acetate (PubChem CID 141007626) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is methyl 2-(2-prop-2-enyl-3H-thiophen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-prop-2-enyl-3H-thiophen-2-yl)acetate
PubChem CID141007626
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Namemethyl 2-(2-prop-2-enyl-3H-thiophen-2-yl)acetate
SMILESC=CCC1(CC(=O)OC)CC=CS1
InChIInChI=1S/C10H14O2S/c1-3-5-10(6-4-7-13-10)8-9(11)12-2/h3-4,7H,1,5-6,8H2,2H3
InChIKeyUGSAMSPINYRXBB-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-prop-2-enyl-3H-thiophen-2-yl)acetate?
The IUPAC name of methyl 2-(2-prop-2-enyl-3H-thiophen-2-yl)acetate (CID 141007626) is methyl 2-(2-prop-2-enyl-3H-thiophen-2-yl)acetate.
What is the SMILES notation for methyl 2-(2-prop-2-enyl-3H-thiophen-2-yl)acetate?
The canonical SMILES for methyl 2-(2-prop-2-enyl-3H-thiophen-2-yl)acetate is C=CCC1(CC(=O)OC)CC=CS1.
What is the InChIKey of methyl 2-(2-prop-2-enyl-3H-thiophen-2-yl)acetate?
The InChIKey is UGSAMSPINYRXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-3-5-10(6-4-7-13-10)8-9(11)12-2/h3-4,7H,1,5-6,8H2,2H3.
What are the key properties of methyl 2-(2-prop-2-enyl-3H-thiophen-2-yl)acetate?
methyl 2-(2-prop-2-enyl-3H-thiophen-2-yl)acetate has a molecular weight of 198.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-prop-2-enyl-3H-thiophen-2-yl)acetate is sourced from PubChem (CID 141007626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).