prop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate

C13H15NO3S — CID 47158600

IUPACprop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate
SMILESC=CCOC(=O)c1sc(NC(=O)C2CC2)cc1C
InChIInChI=1S/C13H15NO3S/c1-3-6-17-13(16)11-8(2)7-10(18-11)14-12(15)9-4-5-9/h3,7,9H,1,4-6H2,2H3,(H,14,15)
InChIKeyGIUFXQKBVHDZSM-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.75
Rot. Bonds5

About prop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate

prop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate (PubChem CID 47158600) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is prop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate
PubChem CID47158600
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Nameprop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate
SMILESC=CCOC(=O)c1sc(NC(=O)C2CC2)cc1C
InChIInChI=1S/C13H15NO3S/c1-3-6-17-13(16)11-8(2)7-10(18-11)14-12(15)9-4-5-9/h3,7,9H,1,4-6H2,2H3,(H,14,15)
InChIKeyGIUFXQKBVHDZSM-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate?
The IUPAC name of prop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate (CID 47158600) is prop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate.
What is the SMILES notation for prop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate?
The canonical SMILES for prop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate is C=CCOC(=O)c1sc(NC(=O)C2CC2)cc1C.
What is the InChIKey of prop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate?
The InChIKey is GIUFXQKBVHDZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-3-6-17-13(16)11-8(2)7-10(18-11)14-12(15)9-4-5-9/h3,7,9H,1,4-6H2,2H3,(H,14,15).
What are the key properties of prop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate?
prop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 47158600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).