methyl 3-(4-acetylthiophen-2-yl)prop-2-enoate

C10H10O3S — CID 175475240

IUPACmethyl 3-(4-acetylthiophen-2-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc(C(C)=O)cs1
InChIInChI=1S/C10H10O3S/c1-7(11)8-5-9(14-6-8)3-4-10(12)13-2/h3-6H,1-2H3
InChIKeyLOFQLXWBNFYDHM-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.14
Rot. Bonds3

About methyl 3-(4-acetylthiophen-2-yl)prop-2-enoate

methyl 3-(4-acetylthiophen-2-yl)prop-2-enoate (PubChem CID 175475240) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is methyl 3-(4-acetylthiophen-2-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(4-acetylthiophen-2-yl)prop-2-enoate
PubChem CID175475240
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Namemethyl 3-(4-acetylthiophen-2-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc(C(C)=O)cs1
InChIInChI=1S/C10H10O3S/c1-7(11)8-5-9(14-6-8)3-4-10(12)13-2/h3-6H,1-2H3
InChIKeyLOFQLXWBNFYDHM-UHFFFAOYSA-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 5-(3-ethoxy-3-oxoprop-1-enyl)thiophene-3-carboxylate
CID 169481301
methyl (E)-3-(4-pyridin-4-ylthiophen-2-yl)prop-2-enoate
CID 23390270
methyl (E)-3-(5-acetylthiophen-3-yl)prop-2-enoate
CID 155466575
methyl 3-(5-acetyl-4-fluorothiophen-2-yl)prop-2-enoate
CID 175475264
methyl 3-(5-acetyl-3-pyridinyl)prop-2-enoate
CID 169479062
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
methyl 5-(3-aminoprop-1-enyl)thiophene-3-carboxylate
CID 169464730
3-[4-(tert-butylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 79684255
3-[4-(4-methoxybutylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 79692298
methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate
CID 169479932
methyl (E)-3-(5-carbamoylthiophen-3-yl)prop-2-enoate
CID 167065475
methyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate
CID 12046535

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-acetylthiophen-2-yl)prop-2-enoate?
The IUPAC name of methyl 3-(4-acetylthiophen-2-yl)prop-2-enoate (CID 175475240) is methyl 3-(4-acetylthiophen-2-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(4-acetylthiophen-2-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(4-acetylthiophen-2-yl)prop-2-enoate is COC(=O)C=Cc1cc(C(C)=O)cs1.
What is the InChIKey of methyl 3-(4-acetylthiophen-2-yl)prop-2-enoate?
The InChIKey is LOFQLXWBNFYDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S/c1-7(11)8-5-9(14-6-8)3-4-10(12)13-2/h3-6H,1-2H3.
What are the key properties of methyl 3-(4-acetylthiophen-2-yl)prop-2-enoate?
methyl 3-(4-acetylthiophen-2-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 3-(4-acetylthiophen-2-yl)prop-2-enoate is sourced from PubChem (CID 175475240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).