N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide

C12H20N2O2 — CID 113115517

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCC(=O)N1CCCC1)C(C)=O
InChIInChI=1S/C12H20N2O2/c1-3-7-13(11(2)15)10-6-12(16)14-8-4-5-9-14/h3H,1,4-10H2,2H3
InChIKeyWIOWNAKKTZZODT-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.03
Rot. Bonds5

About N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide (PubChem CID 113115517) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide
PubChem CID113115517
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCC(=O)N1CCCC1)C(C)=O
InChIInChI=1S/C12H20N2O2/c1-3-7-13(11(2)15)10-6-12(16)14-8-4-5-9-14/h3H,1,4-10H2,2H3
InChIKeyWIOWNAKKTZZODT-UHFFFAOYSA-N
XLogP1.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate
CID 118798912
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide
CID 113115563
N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide
CID 113136448
N-(2-morpholin-4-ylethyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113117649
3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 162750091
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
N-prop-2-enyl-N-propylpiperidine-1-carboxamide
CID 116657075
ethane;1-piperidin-1-ylpent-4-en-1-one
CID 144506821
2-oxo-N,N-bis(prop-2-enyl)-2-pyrrolidin-1-ylacetamide
CID 108516735
N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113117464
N-(2-oxoethyl)-N-prop-2-enylacetamide
CID 19738524
1-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-prop-2-enylurea
CID 86964529

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide (CID 113115517) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide is C=CCN(CCC(=O)N1CCCC1)C(C)=O.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide?
The InChIKey is WIOWNAKKTZZODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-7-13(11(2)15)10-6-12(16)14-8-4-5-9-14/h3H,1,4-10H2,2H3.
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide has a molecular weight of 224.30 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 113115517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).