2-methoxy-N-methylpent-4-enamide

C7H13NO2 — CID 89097247

IUPAC2-methoxy-N-methylpent-4-enamide
SMILESC=CCC(OC)C(=O)NC
InChIInChI=1S/C7H13NO2/c1-4-5-6(10-3)7(9)8-2/h4,6H,1,5H2,2-3H3,(H,8,9)
InChIKeyNBCUWMBOKSSDQT-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.32
Rot. Bonds4

About 2-methoxy-N-methylpent-4-enamide

2-methoxy-N-methylpent-4-enamide (PubChem CID 89097247) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-methoxy-N-methylpent-4-enamide.

Molecular Properties

Compound Name2-methoxy-N-methylpent-4-enamide
PubChem CID89097247
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-methoxy-N-methylpent-4-enamide
SMILESC=CCC(OC)C(=O)NC
InChIInChI=1S/C7H13NO2/c1-4-5-6(10-3)7(9)8-2/h4,6H,1,5H2,2-3H3,(H,8,9)
InChIKeyNBCUWMBOKSSDQT-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 2-methoxy-N-methylpent-4-enamide?
The IUPAC name of 2-methoxy-N-methylpent-4-enamide (CID 89097247) is 2-methoxy-N-methylpent-4-enamide.
What is the SMILES notation for 2-methoxy-N-methylpent-4-enamide?
The canonical SMILES for 2-methoxy-N-methylpent-4-enamide is C=CCC(OC)C(=O)NC.
What is the InChIKey of 2-methoxy-N-methylpent-4-enamide?
The InChIKey is NBCUWMBOKSSDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-5-6(10-3)7(9)8-2/h4,6H,1,5H2,2-3H3,(H,8,9).
What are the key properties of 2-methoxy-N-methylpent-4-enamide?
2-methoxy-N-methylpent-4-enamide 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 2-methoxy-N-methylpent-4-enamide is sourced from PubChem (CID 89097247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).