2-methoxy-N-pent-4-en-2-ylacetamide

C8H15NO2 — CID 115631369

IUPAC2-methoxy-N-pent-4-en-2-ylacetamide
SMILESC=CCC(C)NC(=O)COC
InChIInChI=1S/C8H15NO2/c1-4-5-7(2)9-8(10)6-11-3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyZLWUVOMFNUOPOA-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.71
Rot. Bonds5

About 2-methoxy-N-pent-4-en-2-ylacetamide

2-methoxy-N-pent-4-en-2-ylacetamide (PubChem CID 115631369) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-methoxy-N-pent-4-en-2-ylacetamide.

Molecular Properties

Compound Name2-methoxy-N-pent-4-en-2-ylacetamide
PubChem CID115631369
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-methoxy-N-pent-4-en-2-ylacetamide
SMILESC=CCC(C)NC(=O)COC
InChIInChI=1S/C8H15NO2/c1-4-5-7(2)9-8(10)6-11-3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyZLWUVOMFNUOPOA-UHFFFAOYSA-N
XLogP0.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.71
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 2-methoxy-N-pent-4-en-2-ylacetamide?
The IUPAC name of 2-methoxy-N-pent-4-en-2-ylacetamide (CID 115631369) is 2-methoxy-N-pent-4-en-2-ylacetamide.
What is the SMILES notation for 2-methoxy-N-pent-4-en-2-ylacetamide?
The canonical SMILES for 2-methoxy-N-pent-4-en-2-ylacetamide is C=CCC(C)NC(=O)COC.
What is the InChIKey of 2-methoxy-N-pent-4-en-2-ylacetamide?
The InChIKey is ZLWUVOMFNUOPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5-7(2)9-8(10)6-11-3/h4,7H,1,5-6H2,2-3H3,(H,9,10).
What are the key properties of 2-methoxy-N-pent-4-en-2-ylacetamide?
2-methoxy-N-pent-4-en-2-ylacetamide has a molecular weight of 157.21 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-pent-4-en-2-ylacetamide is sourced from PubChem (CID 115631369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).