methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate

C12H10O3S — CID 75608706

IUPACmethyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(-c2cccs2)o1
InChIInChI=1S/C12H10O3S/c1-14-12(13)7-5-9-4-6-10(15-9)11-3-2-8-16-11/h2-8H,1H3
InChIKeyCOMLGXMMDMCVKE-UHFFFAOYSA-N
MW234.28 g/mol
LogP3.19
Rot. Bonds3

About methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate

methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate (PubChem CID 75608706) has the molecular formula C12H10O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate
PubChem CID75608706
Molecular FormulaC12H10O3S
Molecular Weight234.28 g/mol
Exact Mass234.04
IUPAC Namemethyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(-c2cccs2)o1
InChIInChI=1S/C12H10O3S/c1-14-12(13)7-5-9-4-6-10(15-9)11-3-2-8-16-11/h2-8H,1H3
InChIKeyCOMLGXMMDMCVKE-UHFFFAOYSA-N
XLogP3.19
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-(5-thiophen-2-ylfuran-2-yl)but-2-enoate
CID 82543685
methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate
CID 169479932
methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate
CID 69037771
methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate
CID 71445900
methyl 3-(5-bromofuran-2-yl)prop-2-enoate
CID 66591461
2-thiophen-2-yl-5-(5-thiophen-2-ylfuran-2-yl)furan
CID 102347671
methyl 3-(5-ethylfuran-2-yl)prop-2-enoate
CID 54231207
methyl 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate
CID 79888768
methyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate
CID 170884292
methyl (E)-3-[4-(5-formylfuran-2-yl)phenyl]prop-2-enoate
CID 959168
methyl 3-[5-(propan-2-ylcarbamoyl)furan-2-yl]prop-2-enoate
CID 175475304
methyl (E)-4-oxo-4-thiophen-2-ylbut-2-enoate
CID 12533385

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate?
The IUPAC name of methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate (CID 75608706) is methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate is COC(=O)C=Cc1ccc(-c2cccs2)o1.
What is the InChIKey of methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate?
The InChIKey is COMLGXMMDMCVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S/c1-14-12(13)7-5-9-4-6-10(15-9)11-3-2-8-16-11/h2-8H,1H3.
What are the key properties of methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate?
methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate has a molecular weight of 234.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate is sourced from PubChem (CID 75608706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).