N-(1-oxopent-4-en-2-yl)acetamide

C7H11NO2 — CID 21484707

IUPACN-(1-oxopent-4-en-2-yl)acetamide
SMILESC=CCC(C=O)NC(C)=O
InChIInChI=1S/C7H11NO2/c1-3-4-7(5-9)8-6(2)10/h3,5,7H,1,4H2,2H3,(H,8,10)
InChIKeyFYNUMIUGQPNPKW-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.27
Rot. Bonds4

About N-(1-oxopent-4-en-2-yl)acetamide

N-(1-oxopent-4-en-2-yl)acetamide (PubChem CID 21484707) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-(1-oxopent-4-en-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-oxopent-4-en-2-yl)acetamide
PubChem CID21484707
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-(1-oxopent-4-en-2-yl)acetamide
SMILESC=CCC(C=O)NC(C)=O
InChIInChI=1S/C7H11NO2/c1-3-4-7(5-9)8-6(2)10/h3,5,7H,1,4H2,2H3,(H,8,10)
InChIKeyFYNUMIUGQPNPKW-UHFFFAOYSA-N
XLogP0.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxopent-4-en-2-yl)acetamide?
The IUPAC name of N-(1-oxopent-4-en-2-yl)acetamide (CID 21484707) is N-(1-oxopent-4-en-2-yl)acetamide.
What is the SMILES notation for N-(1-oxopent-4-en-2-yl)acetamide?
The canonical SMILES for N-(1-oxopent-4-en-2-yl)acetamide is C=CCC(C=O)NC(C)=O.
What is the InChIKey of N-(1-oxopent-4-en-2-yl)acetamide?
The InChIKey is FYNUMIUGQPNPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-4-7(5-9)8-6(2)10/h3,5,7H,1,4H2,2H3,(H,8,10).
What are the key properties of N-(1-oxopent-4-en-2-yl)acetamide?
N-(1-oxopent-4-en-2-yl)acetamide has a molecular weight of 141.17 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxopent-4-en-2-yl)acetamide is sourced from PubChem (CID 21484707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).