prop-2-enyl 2,3-dihydrothiophene-2-carboxylate

C8H10O2S — CID 67174971

IUPACprop-2-enyl 2,3-dihydrothiophene-2-carboxylate
SMILESC=CCOC(=O)C1CC=CS1
InChIInChI=1S/C8H10O2S/c1-2-5-10-8(9)7-4-3-6-11-7/h2-3,6-7H,1,4-5H2
InChIKeyZZXDCOGLJVATIQ-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.73
Rot. Bonds3

About prop-2-enyl 2,3-dihydrothiophene-2-carboxylate

prop-2-enyl 2,3-dihydrothiophene-2-carboxylate (PubChem CID 67174971) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is prop-2-enyl 2,3-dihydrothiophene-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2,3-dihydrothiophene-2-carboxylate
PubChem CID67174971
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Nameprop-2-enyl 2,3-dihydrothiophene-2-carboxylate
SMILESC=CCOC(=O)C1CC=CS1
InChIInChI=1S/C8H10O2S/c1-2-5-10-8(9)7-4-3-6-11-7/h2-3,6-7H,1,4-5H2
InChIKeyZZXDCOGLJVATIQ-UHFFFAOYSA-N
XLogP1.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.73
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 prop-2-enyl 2,3-dihydrothiophene-2-carboxylate?
The IUPAC name of prop-2-enyl 2,3-dihydrothiophene-2-carboxylate (CID 67174971) is prop-2-enyl 2,3-dihydrothiophene-2-carboxylate.
What is the SMILES notation for prop-2-enyl 2,3-dihydrothiophene-2-carboxylate?
The canonical SMILES for prop-2-enyl 2,3-dihydrothiophene-2-carboxylate is C=CCOC(=O)C1CC=CS1.
What is the InChIKey of prop-2-enyl 2,3-dihydrothiophene-2-carboxylate?
The InChIKey is ZZXDCOGLJVATIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-2-5-10-8(9)7-4-3-6-11-7/h2-3,6-7H,1,4-5H2.
What are the key properties of prop-2-enyl 2,3-dihydrothiophene-2-carboxylate?
prop-2-enyl 2,3-dihydrothiophene-2-carboxylate has a molecular weight of 170.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2,3-dihydrothiophene-2-carboxylate is sourced from PubChem (CID 67174971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).