(E)-3-(5-ethylthiophen-2-yl)-2-methylprop-2-enoic acid

C10H12O2S — CID 55255248

IUPAC(E)-3-(5-ethylthiophen-2-yl)-2-methylprop-2-enoic acid
SMILESCCc1ccc(/C=C(\C)C(=O)O)s1
InChIInChI=1S/C10H12O2S/c1-3-8-4-5-9(13-8)6-7(2)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)/b7-6+
InChIKeyHPPSBVMGAVHEOS-VOTSOKGWSA-N
MW196.27 g/mol
LogP2.80
Rot. Bonds3

About (E)-3-(5-ethylthiophen-2-yl)-2-methylprop-2-enoic acid

(E)-3-(5-ethylthiophen-2-yl)-2-methylprop-2-enoic acid (PubChem CID 55255248) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is (E)-3-(5-ethylthiophen-2-yl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(5-ethylthiophen-2-yl)-2-methylprop-2-enoic acid
PubChem CID55255248
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name(E)-3-(5-ethylthiophen-2-yl)-2-methylprop-2-enoic acid
SMILESCCc1ccc(/C=C(\C)C(=O)O)s1
InChIInChI=1S/C10H12O2S/c1-3-8-4-5-9(13-8)6-7(2)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)/b7-6+
InChIKeyHPPSBVMGAVHEOS-VOTSOKGWSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-[(E)-2-carboxyprop-1-enyl]thiophen-2-yl]-2-methylprop-2-enoic acid
CID 170873106
2-methyl-3-[5-(pyridin-3-ylmethyl)thiophen-2-yl]prop-2-enoic acid;hydrochloride
CID 70505368
2-[2-(bromomethyl)-3-methylbut-1-enyl]-5-ethylthiophene
CID 79323820
3-[5-(4-fluorophenyl)thiophen-2-yl]-2-methylprop-2-enoic acid
CID 79726680
3-[5-(2-bromophenyl)thiophen-2-yl]-2-methylprop-2-enoic acid
CID 79725688
ethane;5-ethylthiophene-2-carbaldehyde;methanamine
CID 143347263
methyl 3-(5-ethylthiophen-2-yl)prop-2-enoate
CID 70628274
2,5-diethylthiophene
CID 521294
(E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid
CID 19101070
2-cyano-N-cyclopropyl-3-(5-ethylthiophen-2-yl)prop-2-enamide
CID 3434811
(E)-2-methyl-3-(4-phenyl-5-phosphanylthiophen-2-yl)prop-2-enoic acid
CID 142073122
3-(4,5-diphenylthiophen-2-yl)-2-methylprop-2-enoic acid
CID 67174329

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-ethylthiophen-2-yl)-2-methylprop-2-enoic acid?
The IUPAC name of (E)-3-(5-ethylthiophen-2-yl)-2-methylprop-2-enoic acid (CID 55255248) is (E)-3-(5-ethylthiophen-2-yl)-2-methylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(5-ethylthiophen-2-yl)-2-methylprop-2-enoic acid?
The canonical SMILES for (E)-3-(5-ethylthiophen-2-yl)-2-methylprop-2-enoic acid is CCc1ccc(/C=C(\C)C(=O)O)s1.
What is the InChIKey of (E)-3-(5-ethylthiophen-2-yl)-2-methylprop-2-enoic acid?
The InChIKey is HPPSBVMGAVHEOS-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H12O2S/c1-3-8-4-5-9(13-8)6-7(2)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)/b7-6+.
What are the key properties of (E)-3-(5-ethylthiophen-2-yl)-2-methylprop-2-enoic acid?
(E)-3-(5-ethylthiophen-2-yl)-2-methylprop-2-enoic acid has a molecular weight of 196.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-ethylthiophen-2-yl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 55255248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).