4-oxo-N,N-bis(prop-2-enyl)butanamide

C10H15NO2 — CID 173364816

IUPAC4-oxo-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)CCC=O
InChIInChI=1S/C10H15NO2/c1-3-7-11(8-4-2)10(13)6-5-9-12/h3-4,9H,1-2,5-8H2
InChIKeyWHVSYHRFKQTOBE-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.17
Rot. Bonds7

About 4-oxo-N,N-bis(prop-2-enyl)butanamide

4-oxo-N,N-bis(prop-2-enyl)butanamide (PubChem CID 173364816) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-oxo-N,N-bis(prop-2-enyl)butanamide.

Molecular Properties

Compound Name4-oxo-N,N-bis(prop-2-enyl)butanamide
PubChem CID173364816
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4-oxo-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)CCC=O
InChIInChI=1S/C10H15NO2/c1-3-7-11(8-4-2)10(13)6-5-9-12/h3-4,9H,1-2,5-8H2
InChIKeyWHVSYHRFKQTOBE-UHFFFAOYSA-N
XLogP1.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-oxo-N,N-bis(prop-2-enyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-oxo-N,N-bis(prop-2-enyl)decanamide
CID 143467554
N-(2-hydroxyethyl)-N-prop-2-enylpent-4-enamide
CID 115775480
6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid
CID 43529248
2-hydroxy-N,N-bis(prop-2-enyl)acetamide
CID 13241436
[5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium
CID 21354902
2-fluoro-N,N-bis(prop-2-enyl)acetamide
CID 176847586
[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid
CID 88512843
10-oxo-N,N-bis(prop-2-enyl)undecanamide
CID 170397182
ethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate
CID 163829772
2-oxoethyl(prop-2-enyl)carbamic acid
CID 22125686
N-(2-oxoethyl)-N-prop-2-enylacetamide
CID 19738524
CID 140859392
CID 140859392

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N,N-bis(prop-2-enyl)butanamide?
The IUPAC name of 4-oxo-N,N-bis(prop-2-enyl)butanamide (CID 173364816) is 4-oxo-N,N-bis(prop-2-enyl)butanamide.
What is the SMILES notation for 4-oxo-N,N-bis(prop-2-enyl)butanamide?
The canonical SMILES for 4-oxo-N,N-bis(prop-2-enyl)butanamide is C=CCN(CC=C)C(=O)CCC=O.
What is the InChIKey of 4-oxo-N,N-bis(prop-2-enyl)butanamide?
The InChIKey is WHVSYHRFKQTOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-7-11(8-4-2)10(13)6-5-9-12/h3-4,9H,1-2,5-8H2.
What are the key properties of 4-oxo-N,N-bis(prop-2-enyl)butanamide?
4-oxo-N,N-bis(prop-2-enyl)butanamide has a molecular weight of 181.23 g/mol, XLogP of 1.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N,N-bis(prop-2-enyl)butanamide is sourced from PubChem (CID 173364816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).