2-methoxy-N-[(E)-2-methylbut-2-enyl]acetamide

C8H15NO2 — CID 156566243

IUPAC2-methoxy-N-[(E)-2-methylbut-2-enyl]acetamide
SMILESC/C=C(\C)CNC(=O)COC
InChIInChI=1S/C8H15NO2/c1-4-7(2)5-9-8(10)6-11-3/h4H,5-6H2,1-3H3,(H,9,10)/b7-4+
InChIKeyFCBWDEDYOJDLSC-QPJJXVBHSA-N
MW157.21 g/mol
LogP0.72
Rot. Bonds4

About 2-methoxy-N-[(E)-2-methylbut-2-enyl]acetamide

2-methoxy-N-[(E)-2-methylbut-2-enyl]acetamide (PubChem CID 156566243) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-methoxy-N-[(E)-2-methylbut-2-enyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(E)-2-methylbut-2-enyl]acetamide
PubChem CID156566243
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-methoxy-N-[(E)-2-methylbut-2-enyl]acetamide
SMILESC/C=C(\C)CNC(=O)COC
InChIInChI=1S/C8H15NO2/c1-4-7(2)5-9-8(10)6-11-3/h4H,5-6H2,1-3H3,(H,9,10)/b7-4+
InChIKeyFCBWDEDYOJDLSC-QPJJXVBHSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.72
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-[(E)-2-methylbut-2-enyl]acetamide?
The IUPAC name of 2-methoxy-N-[(E)-2-methylbut-2-enyl]acetamide (CID 156566243) is 2-methoxy-N-[(E)-2-methylbut-2-enyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(E)-2-methylbut-2-enyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(E)-2-methylbut-2-enyl]acetamide is C/C=C(\C)CNC(=O)COC.
What is the InChIKey of 2-methoxy-N-[(E)-2-methylbut-2-enyl]acetamide?
The InChIKey is FCBWDEDYOJDLSC-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-7(2)5-9-8(10)6-11-3/h4H,5-6H2,1-3H3,(H,9,10)/b7-4+.
What are the key properties of 2-methoxy-N-[(E)-2-methylbut-2-enyl]acetamide?
2-methoxy-N-[(E)-2-methylbut-2-enyl]acetamide has a molecular weight of 157.21 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(E)-2-methylbut-2-enyl]acetamide is sourced from PubChem (CID 156566243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).