N-[(E)-3-methoxyprop-2-enyl]acetamide

C6H11NO2 — CID 118519285

IUPACN-[(E)-3-methoxyprop-2-enyl]acetamide
SMILESCO/C=C/CNC(C)=O
InChIInChI=1S/C6H11NO2/c1-6(8)7-4-3-5-9-2/h3,5H,4H2,1-2H3,(H,7,8)/b5-3+
InChIKeySLBUXKQULPQBHJ-HWKANZROSA-N
MW129.16 g/mol
LogP0.28
Rot. Bonds3

About N-[(E)-3-methoxyprop-2-enyl]acetamide

N-[(E)-3-methoxyprop-2-enyl]acetamide (PubChem CID 118519285) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-[(E)-3-methoxyprop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-3-methoxyprop-2-enyl]acetamide
PubChem CID118519285
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-[(E)-3-methoxyprop-2-enyl]acetamide
SMILESCO/C=C/CNC(C)=O
InChIInChI=1S/C6H11NO2/c1-6(8)7-4-3-5-9-2/h3,5H,4H2,1-2H3,(H,7,8)/b5-3+
InChIKeySLBUXKQULPQBHJ-HWKANZROSA-N
XLogP0.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-methoxyprop-2-enyl]acetamide?
The IUPAC name of N-[(E)-3-methoxyprop-2-enyl]acetamide (CID 118519285) is N-[(E)-3-methoxyprop-2-enyl]acetamide.
What is the SMILES notation for N-[(E)-3-methoxyprop-2-enyl]acetamide?
The canonical SMILES for N-[(E)-3-methoxyprop-2-enyl]acetamide is CO/C=C/CNC(C)=O.
What is the InChIKey of N-[(E)-3-methoxyprop-2-enyl]acetamide?
The InChIKey is SLBUXKQULPQBHJ-HWKANZROSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(8)7-4-3-5-9-2/h3,5H,4H2,1-2H3,(H,7,8)/b5-3+.
What are the key properties of N-[(E)-3-methoxyprop-2-enyl]acetamide?
N-[(E)-3-methoxyprop-2-enyl]acetamide has a molecular weight of 129.16 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-methoxyprop-2-enyl]acetamide is sourced from PubChem (CID 118519285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).