methyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate

C10H10O3S — CID 155466575

IUPACmethyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1csc(C(C)=O)c1
InChIInChI=1S/C10H10O3S/c1-7(11)9-5-8(6-14-9)3-4-10(12)13-2/h3-6H,1-2H3/b4-3+
InChIKeyRIFXIMWZAXVEAA-ONEGZZNKSA-N
MW210.25 g/mol
LogP2.14
Rot. Bonds3

About methyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate

methyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate (PubChem CID 155466575) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is methyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate
PubChem CID155466575
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Namemethyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1csc(C(C)=O)c1
InChIInChI=1S/C10H10O3S/c1-7(11)9-5-8(6-14-9)3-4-10(12)13-2/h3-6H,1-2H3/b4-3+
InChIKeyRIFXIMWZAXVEAA-ONEGZZNKSA-N
XLogP2.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.14
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-carbamoylthiophen-3-yl)prop-2-enoate
CID 167065475
3-(5-acetylthiophen-3-yl)prop-2-enenitrile
CID 169483125
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
methyl 3-(4-acetylthiophen-2-yl)prop-2-enoate
CID 175475240
1-[4-(4-aminobut-1-enyl)thiophen-2-yl]ethanone
CID 170486563
1-[4-[2-(3-chlorophenyl)ethenyl]thiophen-2-yl]ethanone
CID 174501401
methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 35026955
methyl (E)-3-(3,4-dinitrosophenyl)prop-2-enoate
CID 88910633
methyl 3-(5-acetyl-3-pyridinyl)prop-2-enoate
CID 169479062
methyl 3-[3-(2-methylprop-1-enyl)phenyl]prop-2-enoate
CID 139611465
methyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate
CID 12046535
methyl 3-(3,4,5-trichlorophenyl)prop-2-enoate
CID 169478850

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate (CID 155466575) is methyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate is COC(=O)/C=C/c1csc(C(C)=O)c1.
What is the InChIKey of methyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate?
The InChIKey is RIFXIMWZAXVEAA-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H10O3S/c1-7(11)9-5-8(6-14-9)3-4-10(12)13-2/h3-6H,1-2H3/b4-3+.
What are the key properties of methyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate?
methyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate has a molecular weight of 210.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate is sourced from PubChem (CID 155466575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).