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

C8H13NO2 — CID 22667919

IUPACN-(1-oxopent-4-en-2-yl)propanamide
SMILESC=CCC(C=O)NC(=O)CC
InChIInChI=1S/C8H13NO2/c1-3-5-7(6-10)9-8(11)4-2/h3,6-7H,1,4-5H2,2H3,(H,9,11)
InChIKeyHEDWBGBVUSZQJW-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.66
Rot. Bonds5

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

N-(1-oxopent-4-en-2-yl)propanamide (PubChem CID 22667919) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(1-oxopent-4-en-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-oxopent-4-en-2-yl)propanamide
PubChem CID22667919
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(1-oxopent-4-en-2-yl)propanamide
SMILESC=CCC(C=O)NC(=O)CC
InChIInChI=1S/C8H13NO2/c1-3-5-7(6-10)9-8(11)4-2/h3,6-7H,1,4-5H2,2H3,(H,9,11)
InChIKeyHEDWBGBVUSZQJW-UHFFFAOYSA-N
XLogP0.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.66
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)propanamide?
The IUPAC name of N-(1-oxopent-4-en-2-yl)propanamide (CID 22667919) is N-(1-oxopent-4-en-2-yl)propanamide.
What is the SMILES notation for N-(1-oxopent-4-en-2-yl)propanamide?
The canonical SMILES for N-(1-oxopent-4-en-2-yl)propanamide is C=CCC(C=O)NC(=O)CC.
What is the InChIKey of N-(1-oxopent-4-en-2-yl)propanamide?
The InChIKey is HEDWBGBVUSZQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-5-7(6-10)9-8(11)4-2/h3,6-7H,1,4-5H2,2H3,(H,9,11).
What are the key properties of N-(1-oxopent-4-en-2-yl)propanamide?
N-(1-oxopent-4-en-2-yl)propanamide has a molecular weight of 155.20 g/mol, XLogP of 0.66, 5 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)propanamide is sourced from PubChem (CID 22667919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).