N-[(E)-but-2-enyl]-2-methoxyacetamide

C7H13NO2 — CID 59999383

IUPACN-[(E)-but-2-enyl]-2-methoxyacetamide
SMILESC/C=C/CNC(=O)COC
InChIInChI=1S/C7H13NO2/c1-3-4-5-8-7(9)6-10-2/h3-4H,5-6H2,1-2H3,(H,8,9)/b4-3+
InChIKeyCMSJASIOIMSTRT-ONEGZZNKSA-N
MW143.19 g/mol
LogP0.33
Rot. Bonds4

About N-[(E)-but-2-enyl]-2-methoxyacetamide

N-[(E)-but-2-enyl]-2-methoxyacetamide (PubChem CID 59999383) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-methoxyacetamide
PubChem CID59999383
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-[(E)-but-2-enyl]-2-methoxyacetamide
SMILESC/C=C/CNC(=O)COC
InChIInChI=1S/C7H13NO2/c1-3-4-5-8-7(9)6-10-2/h3-4H,5-6H2,1-2H3,(H,8,9)/b4-3+
InChIKeyCMSJASIOIMSTRT-ONEGZZNKSA-N
XLogP0.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-methoxyacetamide?
The IUPAC name of N-[(E)-but-2-enyl]-2-methoxyacetamide (CID 59999383) is N-[(E)-but-2-enyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-methoxyacetamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2-methoxyacetamide is C/C=C/CNC(=O)COC.
What is the InChIKey of N-[(E)-but-2-enyl]-2-methoxyacetamide?
The InChIKey is CMSJASIOIMSTRT-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-5-8-7(9)6-10-2/h3-4H,5-6H2,1-2H3,(H,8,9)/b4-3+.
What are the key properties of N-[(E)-but-2-enyl]-2-methoxyacetamide?
N-[(E)-but-2-enyl]-2-methoxyacetamide has a molecular weight of 143.19 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2-methoxyacetamide is sourced from PubChem (CID 59999383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).