methyl 3-(5-ethylthiophen-2-yl)prop-2-enoate

C10H12O2S — CID 70628274

IUPACmethyl 3-(5-ethylthiophen-2-yl)prop-2-enoate
SMILESCCc1ccc(C=CC(=O)OC)s1
InChIInChI=1S/C10H12O2S/c1-3-8-4-5-9(13-8)6-7-10(11)12-2/h4-7H,3H2,1-2H3
InChIKeyZVLWAWJQGNAHFE-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.50
Rot. Bonds3

About methyl 3-(5-ethylthiophen-2-yl)prop-2-enoate

methyl 3-(5-ethylthiophen-2-yl)prop-2-enoate (PubChem CID 70628274) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is methyl 3-(5-ethylthiophen-2-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(5-ethylthiophen-2-yl)prop-2-enoate
PubChem CID70628274
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Namemethyl 3-(5-ethylthiophen-2-yl)prop-2-enoate
SMILESCCc1ccc(C=CC(=O)OC)s1
InChIInChI=1S/C10H12O2S/c1-3-8-4-5-9(13-8)6-7-10(11)12-2/h4-7H,3H2,1-2H3
InChIKeyZVLWAWJQGNAHFE-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.50
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 (E)-3-(5-methoxythiophen-2-yl)prop-2-enoate
CID 68847541
methyl 3-[5-(2-ethoxy-2-oxoacetyl)thiophen-2-yl]prop-2-enoate
CID 169479630
cyclopropane;methyl 3-(5-bromothiophen-2-yl)prop-2-enoate
CID 70627909
methyl 3-(5-nitrothiophen-2-yl)prop-2-enoate
CID 85167112
methyl 3-(5-prop-1-ynylthiophen-2-yl)prop-2-enoate
CID 162911537
methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate
CID 169479932
methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate
CID 113220269
ethyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 13145237
(Z)-3-(5-propylthiophen-2-yl)prop-2-enamide
CID 55267151
methyl 3-(5-ethylfuran-2-yl)prop-2-enoate
CID 54231207
butyl (E)-3-(5-formylthiophen-2-yl)prop-2-enoate
CID 102244705
(E)-3-(5-ethylthiophen-2-yl)-2-methylprop-2-enoic acid
CID 55255248

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-ethylthiophen-2-yl)prop-2-enoate?
The IUPAC name of methyl 3-(5-ethylthiophen-2-yl)prop-2-enoate (CID 70628274) is methyl 3-(5-ethylthiophen-2-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(5-ethylthiophen-2-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(5-ethylthiophen-2-yl)prop-2-enoate is CCc1ccc(C=CC(=O)OC)s1.
What is the InChIKey of methyl 3-(5-ethylthiophen-2-yl)prop-2-enoate?
The InChIKey is ZVLWAWJQGNAHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-3-8-4-5-9(13-8)6-7-10(11)12-2/h4-7H,3H2,1-2H3.
What are the key properties of methyl 3-(5-ethylthiophen-2-yl)prop-2-enoate?
methyl 3-(5-ethylthiophen-2-yl)prop-2-enoate has a molecular weight of 196.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-ethylthiophen-2-yl)prop-2-enoate is sourced from PubChem (CID 70628274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).