N-(2-oxoethyl)-N-prop-2-enylpropanamide

C8H13NO2 — CID 19738505

IUPACN-(2-oxoethyl)-N-prop-2-enylpropanamide
SMILESC=CCN(CC=O)C(=O)CC
InChIInChI=1S/C8H13NO2/c1-3-5-9(6-7-10)8(11)4-2/h3,7H,1,4-6H2,2H3
InChIKeyYRSXFQHXSXZQRF-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.61
Rot. Bonds5

About N-(2-oxoethyl)-N-prop-2-enylpropanamide

N-(2-oxoethyl)-N-prop-2-enylpropanamide (PubChem CID 19738505) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(2-oxoethyl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound NameN-(2-oxoethyl)-N-prop-2-enylpropanamide
PubChem CID19738505
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(2-oxoethyl)-N-prop-2-enylpropanamide
SMILESC=CCN(CC=O)C(=O)CC
InChIInChI=1S/C8H13NO2/c1-3-5-9(6-7-10)8(11)4-2/h3,7H,1,4-6H2,2H3
InChIKeyYRSXFQHXSXZQRF-UHFFFAOYSA-N
XLogP0.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.61
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'}

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Related Compounds

2-oxo-N,N-bis(prop-2-enyl)acetamide
CID 11084074
Ethyl allyl(2-oxoethyl)carbamate
CID 11084330
N-methyl-N-(2-oxoethyl)prop-2-enamide
CID 15639400
methyl N-(2-oxoethyl)-N-prop-2-enylcarbamate
CID 17859923
methyl N-[(E)-but-2-enyl]-N-(2-oxoethyl)carbamate
CID 19738517
N-[(E)-but-2-enyl]-N-(2-oxoethyl)acetamide
CID 19738520
N-(2-oxoethyl)-N-prop-2-enylacetamide
CID 19738524
methyl N-(1-oxopropan-2-yl)-N-prop-2-enylcarbamate
CID 19738533
N-(1-oxopropan-2-yl)-N-prop-2-enylacetamide
CID 19738541
N-but-3-en-2-yl-N-(2-oxoethyl)acetamide
CID 19738548
N-(2-methylprop-2-enyl)-N-(2-oxoethyl)acetamide
CID 19738554
N,N-diethylprop-2-enamide;prop-2-enal
CID 23511066

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoethyl)-N-prop-2-enylpropanamide?
The IUPAC name of N-(2-oxoethyl)-N-prop-2-enylpropanamide (CID 19738505) is N-(2-oxoethyl)-N-prop-2-enylpropanamide.
What is the SMILES notation for N-(2-oxoethyl)-N-prop-2-enylpropanamide?
The canonical SMILES for N-(2-oxoethyl)-N-prop-2-enylpropanamide is C=CCN(CC=O)C(=O)CC.
What is the InChIKey of N-(2-oxoethyl)-N-prop-2-enylpropanamide?
The InChIKey is YRSXFQHXSXZQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-5-9(6-7-10)8(11)4-2/h3,7H,1,4-6H2,2H3.
What are the key properties of N-(2-oxoethyl)-N-prop-2-enylpropanamide?
N-(2-oxoethyl)-N-prop-2-enylpropanamide has a molecular weight of 155.20 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoethyl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 19738505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).