N-but-3-en-2-yl-2-methoxyacetamide

C7H13NO2 — CID 115692106

IUPACN-but-3-en-2-yl-2-methoxyacetamide
SMILESC=CC(C)NC(=O)COC
InChIInChI=1S/C7H13NO2/c1-4-6(2)8-7(9)5-10-3/h4,6H,1,5H2,2-3H3,(H,8,9)
InChIKeyPMKFQHXEZAUOBN-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.32
Rot. Bonds4

About N-but-3-en-2-yl-2-methoxyacetamide

N-but-3-en-2-yl-2-methoxyacetamide (PubChem CID 115692106) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-methoxyacetamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-methoxyacetamide
PubChem CID115692106
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-but-3-en-2-yl-2-methoxyacetamide
SMILESC=CC(C)NC(=O)COC
InChIInChI=1S/C7H13NO2/c1-4-6(2)8-7(9)5-10-3/h4,6H,1,5H2,2-3H3,(H,8,9)
InChIKeyPMKFQHXEZAUOBN-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
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-but-3-en-2-yl-2-methoxyacetamide?
The IUPAC name of N-but-3-en-2-yl-2-methoxyacetamide (CID 115692106) is N-but-3-en-2-yl-2-methoxyacetamide.
What is the SMILES notation for N-but-3-en-2-yl-2-methoxyacetamide?
The canonical SMILES for N-but-3-en-2-yl-2-methoxyacetamide is C=CC(C)NC(=O)COC.
What is the InChIKey of N-but-3-en-2-yl-2-methoxyacetamide?
The InChIKey is PMKFQHXEZAUOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-6(2)8-7(9)5-10-3/h4,6H,1,5H2,2-3H3,(H,8,9).
What are the key properties of N-but-3-en-2-yl-2-methoxyacetamide?
N-but-3-en-2-yl-2-methoxyacetamide has a molecular weight of 143.19 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2-methoxyacetamide is sourced from PubChem (CID 115692106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).