N-(4-methyl-5-oxopent-4-en-2-yl)acetamide

C8H13NO2 — CID 23573369

IUPACN-(4-methyl-5-oxopent-4-en-2-yl)acetamide
SMILESCC(=O)NC(C)CC(C)=C=O
InChIInChI=1S/C8H13NO2/c1-6(5-10)4-7(2)9-8(3)11/h7H,4H2,1-3H3,(H,9,11)
InChIKeyROXPXXOVDXXSLJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.68
Rot. Bonds3

About N-(4-methyl-5-oxopent-4-en-2-yl)acetamide

N-(4-methyl-5-oxopent-4-en-2-yl)acetamide (PubChem CID 23573369) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(4-methyl-5-oxopent-4-en-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-5-oxopent-4-en-2-yl)acetamide
PubChem CID23573369
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(4-methyl-5-oxopent-4-en-2-yl)acetamide
SMILESCC(=O)NC(C)CC(C)=C=O
InChIInChI=1S/C8H13NO2/c1-6(5-10)4-7(2)9-8(3)11/h7H,4H2,1-3H3,(H,9,11)
InChIKeyROXPXXOVDXXSLJ-UHFFFAOYSA-N
XLogP0.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-oxopent-4-en-2-yl)acetamide?
The IUPAC name of N-(4-methyl-5-oxopent-4-en-2-yl)acetamide (CID 23573369) is N-(4-methyl-5-oxopent-4-en-2-yl)acetamide.
What is the SMILES notation for N-(4-methyl-5-oxopent-4-en-2-yl)acetamide?
The canonical SMILES for N-(4-methyl-5-oxopent-4-en-2-yl)acetamide is CC(=O)NC(C)CC(C)=C=O.
What is the InChIKey of N-(4-methyl-5-oxopent-4-en-2-yl)acetamide?
The InChIKey is ROXPXXOVDXXSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(5-10)4-7(2)9-8(3)11/h7H,4H2,1-3H3,(H,9,11).
What are the key properties of N-(4-methyl-5-oxopent-4-en-2-yl)acetamide?
N-(4-methyl-5-oxopent-4-en-2-yl)acetamide has a molecular weight of 155.20 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-oxopent-4-en-2-yl)acetamide is sourced from PubChem (CID 23573369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).