methyl 2-methyl-3-thiophen-2-ylprop-2-enoate

C9H10O2S — CID 57285992

IUPACmethyl 2-methyl-3-thiophen-2-ylprop-2-enoate
SMILESCOC(=O)C(C)=Cc1cccs1
InChIInChI=1S/C9H10O2S/c1-7(9(10)11-2)6-8-4-3-5-12-8/h3-6H,1-2H3
InChIKeyWZLFAVYZJLIVQW-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.32
Rot. Bonds2

About methyl 2-methyl-3-thiophen-2-ylprop-2-enoate

methyl 2-methyl-3-thiophen-2-ylprop-2-enoate (PubChem CID 57285992) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is methyl 2-methyl-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-thiophen-2-ylprop-2-enoate
PubChem CID57285992
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Namemethyl 2-methyl-3-thiophen-2-ylprop-2-enoate
SMILESCOC(=O)C(C)=Cc1cccs1
InChIInChI=1S/C9H10O2S/c1-7(9(10)11-2)6-8-4-3-5-12-8/h3-6H,1-2H3
InChIKeyWZLFAVYZJLIVQW-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)butanoate
CID 67842842
methyl (Z)-2-hydroxy-3-thiophen-2-ylprop-2-enoate
CID 52985524
methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate
CID 2764285
methyl (E)-2-cyano-3-thiophen-2-ylprop-2-enoate
CID 968615
dimethyl (2E)-2-(thiophen-2-ylmethylidene)butanedioate
CID 11107460
(E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide
CID 14383806
methyl (2Z,4E)-2-acetyl-5-thiophen-2-ylpenta-2,4-dienoate
CID 805471
2-(thiophen-2-ylmethylidene)propanediamide
CID 5079332
(E)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide
CID 110298527
methyl 4-(4-tert-butylphenyl)-4-oxo-2-(thiophen-2-ylmethylidene)butanoate
CID 165053277
(E)-2-chloro-3-thiophen-2-ylprop-2-enoic acid
CID 88503797
2-(thiophen-2-ylmethylidene)propanedioic acid
CID 4714957

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of methyl 2-methyl-3-thiophen-2-ylprop-2-enoate (CID 57285992) is methyl 2-methyl-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for methyl 2-methyl-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for methyl 2-methyl-3-thiophen-2-ylprop-2-enoate is COC(=O)C(C)=Cc1cccs1.
What is the InChIKey of methyl 2-methyl-3-thiophen-2-ylprop-2-enoate?
The InChIKey is WZLFAVYZJLIVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c1-7(9(10)11-2)6-8-4-3-5-12-8/h3-6H,1-2H3.
What are the key properties of methyl 2-methyl-3-thiophen-2-ylprop-2-enoate?
methyl 2-methyl-3-thiophen-2-ylprop-2-enoate has a molecular weight of 182.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 57285992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).