3-[(E)-but-2-enoxy]propanamide

C7H13NO2 — CID 62276924

IUPAC3-[(E)-but-2-enoxy]propanamide
SMILESC/C=C/COCCC(N)=O
InChIInChI=1S/C7H13NO2/c1-2-3-5-10-6-4-7(8)9/h2-3H,4-6H2,1H3,(H2,8,9)/b3-2+
InChIKeyDVAHWJVAHTZVOV-NSCUHMNNSA-N
MW143.19 g/mol
LogP0.45
Rot. Bonds5

About 3-[(E)-but-2-enoxy]propanamide

3-[(E)-but-2-enoxy]propanamide (PubChem CID 62276924) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-[(E)-but-2-enoxy]propanamide.

Molecular Properties

Compound Name3-[(E)-but-2-enoxy]propanamide
PubChem CID62276924
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-[(E)-but-2-enoxy]propanamide
SMILESC/C=C/COCCC(N)=O
InChIInChI=1S/C7H13NO2/c1-2-3-5-10-6-4-7(8)9/h2-3H,4-6H2,1H3,(H2,8,9)/b3-2+
InChIKeyDVAHWJVAHTZVOV-NSCUHMNNSA-N
XLogP0.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(E)-but-2-enoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(Z)-but-2-enoxy]propanoic acid
CID 10351812
1-[(E)-but-2-enoxy]pentan-3-one
CID 166515002
2-[(E)-but-2-enoxy]ethanamine
CID 58684399
3-[(3-amino-3-oxopropoxy)methoxy]propanamide
CID 87272054
6-but-2-enoxyhexanehydrazide
CID 77024435
1,6-bis(but-2-enoxy)hexane
CID 173425920
3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 146640391
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469
3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 138616319
3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid
CID 88588608
(E)-hept-5-enamide
CID 18415105
(E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol
CID 87839442

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-2-enoxy]propanamide?
The IUPAC name of 3-[(E)-but-2-enoxy]propanamide (CID 62276924) is 3-[(E)-but-2-enoxy]propanamide.
What is the SMILES notation for 3-[(E)-but-2-enoxy]propanamide?
The canonical SMILES for 3-[(E)-but-2-enoxy]propanamide is C/C=C/COCCC(N)=O.
What is the InChIKey of 3-[(E)-but-2-enoxy]propanamide?
The InChIKey is DVAHWJVAHTZVOV-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-3-5-10-6-4-7(8)9/h2-3H,4-6H2,1H3,(H2,8,9)/b3-2+.
What are the key properties of 3-[(E)-but-2-enoxy]propanamide?
3-[(E)-but-2-enoxy]propanamide has a molecular weight of 143.19 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-enoxy]propanamide is sourced from PubChem (CID 62276924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).