methyl (E)-3-acetamidoprop-2-enoate

C6H9NO3 — CID 11804871

IUPACmethyl (E)-3-acetamidoprop-2-enoate
SMILESCOC(=O)/C=C/NC(C)=O
InChIInChI=1S/C6H9NO3/c1-5(8)7-4-3-6(9)10-2/h3-4H,1-2H3,(H,7,8)/b4-3+
InChIKeyZXKCZLZDERMMQB-ONEGZZNKSA-N
MW143.14 g/mol
LogP-0.19
Rot. Bonds2

About methyl (E)-3-acetamidoprop-2-enoate

methyl (E)-3-acetamidoprop-2-enoate (PubChem CID 11804871) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is methyl (E)-3-acetamidoprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-acetamidoprop-2-enoate
PubChem CID11804871
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Namemethyl (E)-3-acetamidoprop-2-enoate
SMILESCOC(=O)/C=C/NC(C)=O
InChIInChI=1S/C6H9NO3/c1-5(8)7-4-3-6(9)10-2/h3-4H,1-2H3,(H,7,8)/b4-3+
InChIKeyZXKCZLZDERMMQB-ONEGZZNKSA-N
XLogP-0.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (E)-3-acetamidoprop-2-enoate?
The IUPAC name of methyl (E)-3-acetamidoprop-2-enoate (CID 11804871) is methyl (E)-3-acetamidoprop-2-enoate.
What is the SMILES notation for methyl (E)-3-acetamidoprop-2-enoate?
The canonical SMILES for methyl (E)-3-acetamidoprop-2-enoate is COC(=O)/C=C/NC(C)=O.
What is the InChIKey of methyl (E)-3-acetamidoprop-2-enoate?
The InChIKey is ZXKCZLZDERMMQB-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H9NO3/c1-5(8)7-4-3-6(9)10-2/h3-4H,1-2H3,(H,7,8)/b4-3+.
What are the key properties of methyl (E)-3-acetamidoprop-2-enoate?
methyl (E)-3-acetamidoprop-2-enoate has a molecular weight of 143.14 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-acetamidoprop-2-enoate is sourced from PubChem (CID 11804871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).