N-(1-methoxybut-3-en-2-yl)acetamide

C7H13NO2 — CID 130621625

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

About N-(1-methoxybut-3-en-2-yl)acetamide

N-(1-methoxybut-3-en-2-yl)acetamide (PubChem CID 130621625) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(1-methoxybut-3-en-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-methoxybut-3-en-2-yl)acetamide
PubChem CID130621625
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(1-methoxybut-3-en-2-yl)acetamide
SMILESC=CC(COC)NC(C)=O
InChIInChI=1S/C7H13NO2/c1-4-7(5-10-3)8-6(2)9/h4,7H,1,5H2,2-3H3,(H,8,9)
InChIKeyGAASGORFWJNPQI-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-(1-methoxybut-3-en-2-yl)acetamide?
The IUPAC name of N-(1-methoxybut-3-en-2-yl)acetamide (CID 130621625) is N-(1-methoxybut-3-en-2-yl)acetamide.
What is the SMILES notation for N-(1-methoxybut-3-en-2-yl)acetamide?
The canonical SMILES for N-(1-methoxybut-3-en-2-yl)acetamide is C=CC(COC)NC(C)=O.
What is the InChIKey of N-(1-methoxybut-3-en-2-yl)acetamide?
The InChIKey is GAASGORFWJNPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-7(5-10-3)8-6(2)9/h4,7H,1,5H2,2-3H3,(H,8,9).
What are the key properties of N-(1-methoxybut-3-en-2-yl)acetamide?
N-(1-methoxybut-3-en-2-yl)acetamide 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-(1-methoxybut-3-en-2-yl)acetamide is sourced from PubChem (CID 130621625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).