methyl (Z)-3-thiophen-3-ylprop-2-enoate

C8H8O2S — CID 35026955

IUPACmethyl (Z)-3-thiophen-3-ylprop-2-enoate
SMILESCOC(=O)/C=C\c1ccsc1
InChIInChI=1S/C8H8O2S/c1-10-8(9)3-2-7-4-5-11-6-7/h2-6H,1H3/b3-2-
InChIKeyZBUKIESAKFXOHF-IHWYPQMZSA-N
MW168.22 g/mol
LogP1.93
Rot. Bonds2

About methyl (Z)-3-thiophen-3-ylprop-2-enoate

methyl (Z)-3-thiophen-3-ylprop-2-enoate (PubChem CID 35026955) has the molecular formula C8H8O2S and a molecular weight of 168.22 g/mol. Its IUPAC name is methyl (Z)-3-thiophen-3-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-thiophen-3-ylprop-2-enoate
PubChem CID35026955
Molecular FormulaC8H8O2S
Molecular Weight168.22 g/mol
Exact Mass168.02
IUPAC Namemethyl (Z)-3-thiophen-3-ylprop-2-enoate
SMILESCOC(=O)/C=C\c1ccsc1
InChIInChI=1S/C8H8O2S/c1-10-8(9)3-2-7-4-5-11-6-7/h2-6H,1H3/b3-2-
InChIKeyZBUKIESAKFXOHF-IHWYPQMZSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (Z)-3-thiophen-3-ylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(dimethylamino)methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 122223999
methyl 4-[[(E)-3-thiophen-3-ylprop-2-enoyl]oxymethyl]benzoate
CID 7549752
[2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7549949
4-methyl-1-thiophen-3-ylpent-1-en-3-one
CID 54153375
methyl 2-[methyl-[(E)-3-thiophen-3-ylprop-2-enoyl]amino]acetate
CID 75413211
1-(4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one
CID 75647170
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7549866
ethyl 2-oxo-4-thiophen-3-ylbut-3-enoate
CID 53411531
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
methyl (2R)-4-methyl-2-(3-thiophen-3-ylprop-2-enoylamino)pentanoate
CID 66772462
[2-(2-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7549850

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-thiophen-3-ylprop-2-enoate?
The IUPAC name of methyl (Z)-3-thiophen-3-ylprop-2-enoate (CID 35026955) is methyl (Z)-3-thiophen-3-ylprop-2-enoate.
What is the SMILES notation for methyl (Z)-3-thiophen-3-ylprop-2-enoate?
The canonical SMILES for methyl (Z)-3-thiophen-3-ylprop-2-enoate is COC(=O)/C=C\c1ccsc1.
What is the InChIKey of methyl (Z)-3-thiophen-3-ylprop-2-enoate?
The InChIKey is ZBUKIESAKFXOHF-IHWYPQMZSA-N. The full InChI is InChI=1S/C8H8O2S/c1-10-8(9)3-2-7-4-5-11-6-7/h2-6H,1H3/b3-2-.
What are the key properties of methyl (Z)-3-thiophen-3-ylprop-2-enoate?
methyl (Z)-3-thiophen-3-ylprop-2-enoate has a molecular weight of 168.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-thiophen-3-ylprop-2-enoate is sourced from PubChem (CID 35026955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).