methyl (Z)-2-acetamido-3-(5-methylthiophen-2-yl)prop-2-enoate

C11H13NO3S — CID 13180766

IUPACmethyl (Z)-2-acetamido-3-(5-methylthiophen-2-yl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccc(C)s1)NC(C)=O
InChIInChI=1S/C11H13NO3S/c1-7-4-5-9(16-7)6-10(11(14)15-3)12-8(2)13/h4-6H,1-3H3,(H,12,13)/b10-6-
InChIKeyCMNKEEZUOIPKGT-POHAHGRESA-N
MW239.30 g/mol
LogP1.71
Rot. Bonds3

About methyl (Z)-2-acetamido-3-(5-methylthiophen-2-yl)prop-2-enoate

methyl (Z)-2-acetamido-3-(5-methylthiophen-2-yl)prop-2-enoate (PubChem CID 13180766) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is methyl (Z)-2-acetamido-3-(5-methylthiophen-2-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-acetamido-3-(5-methylthiophen-2-yl)prop-2-enoate
PubChem CID13180766
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Namemethyl (Z)-2-acetamido-3-(5-methylthiophen-2-yl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccc(C)s1)NC(C)=O
InChIInChI=1S/C11H13NO3S/c1-7-4-5-9(16-7)6-10(11(14)15-3)12-8(2)13/h4-6H,1-3H3,(H,12,13)/b10-6-
InChIKeyCMNKEEZUOIPKGT-POHAHGRESA-N
XLogP1.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-acetamido-3-(5-methylthiophen-2-yl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-acetamido-3-(5-methylthiophen-2-yl)prop-2-enoate (CID 13180766) is methyl (Z)-2-acetamido-3-(5-methylthiophen-2-yl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-acetamido-3-(5-methylthiophen-2-yl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-acetamido-3-(5-methylthiophen-2-yl)prop-2-enoate is COC(=O)/C(=C/c1ccc(C)s1)NC(C)=O.
What is the InChIKey of methyl (Z)-2-acetamido-3-(5-methylthiophen-2-yl)prop-2-enoate?
The InChIKey is CMNKEEZUOIPKGT-POHAHGRESA-N. The full InChI is InChI=1S/C11H13NO3S/c1-7-4-5-9(16-7)6-10(11(14)15-3)12-8(2)13/h4-6H,1-3H3,(H,12,13)/b10-6-.
What are the key properties of methyl (Z)-2-acetamido-3-(5-methylthiophen-2-yl)prop-2-enoate?
methyl (Z)-2-acetamido-3-(5-methylthiophen-2-yl)prop-2-enoate has a molecular weight of 239.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-acetamido-3-(5-methylthiophen-2-yl)prop-2-enoate is sourced from PubChem (CID 13180766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).