N-[(E)-but-2-enyl]-2-methoxypropanamide;ethane

C10H21NO2 — CID 178011373

IUPACN-[(E)-but-2-enyl]-2-methoxypropanamide;ethane
SMILESC/C=C/CNC(=O)C(C)OC.CC
InChIInChI=1S/C8H15NO2.C2H6/c1-4-5-6-9-8(10)7(2)11-3;1-2/h4-5,7H,6H2,1-3H3,(H,9,10);1-2H3/b5-4+;
InChIKeyPRKQZEABXNCSHK-FXRZFVDSSA-N
MW187.28 g/mol
LogP1.74
Rot. Bonds4

About N-[(E)-but-2-enyl]-2-methoxypropanamide;ethane

N-[(E)-but-2-enyl]-2-methoxypropanamide;ethane (PubChem CID 178011373) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-methoxypropanamide;ethane.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-methoxypropanamide;ethane
PubChem CID178011373
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-[(E)-but-2-enyl]-2-methoxypropanamide;ethane
SMILESC/C=C/CNC(=O)C(C)OC.CC
InChIInChI=1S/C8H15NO2.C2H6/c1-4-5-6-9-8(10)7(2)11-3;1-2/h4-5,7H,6H2,1-3H3,(H,9,10);1-2H3/b5-4+;
InChIKeyPRKQZEABXNCSHK-FXRZFVDSSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.74
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-methoxypropanamide;ethane?
The IUPAC name of N-[(E)-but-2-enyl]-2-methoxypropanamide;ethane (CID 178011373) is N-[(E)-but-2-enyl]-2-methoxypropanamide;ethane.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-methoxypropanamide;ethane?
The canonical SMILES for N-[(E)-but-2-enyl]-2-methoxypropanamide;ethane is C/C=C/CNC(=O)C(C)OC.CC.
What is the InChIKey of N-[(E)-but-2-enyl]-2-methoxypropanamide;ethane?
The InChIKey is PRKQZEABXNCSHK-FXRZFVDSSA-N. The full InChI is InChI=1S/C8H15NO2.C2H6/c1-4-5-6-9-8(10)7(2)11-3;1-2/h4-5,7H,6H2,1-3H3,(H,9,10);1-2H3/b5-4+;.
What are the key properties of N-[(E)-but-2-enyl]-2-methoxypropanamide;ethane?
N-[(E)-but-2-enyl]-2-methoxypropanamide;ethane has a molecular weight of 187.28 g/mol, XLogP of 1.74, 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-methoxypropanamide;ethane is sourced from PubChem (CID 178011373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).