2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide

C13H20N2O2 — CID 79546238

IUPAC2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N1CCCC1CC(C)=O
InChIInChI=1S/C13H20N2O2/c1-4-7-14-13(17)11(3)15-8-5-6-12(15)9-10(2)16/h1,11-12H,5-9H2,2-3H3,(H,14,17)
InChIKeyYANPMFMRGUTBRM-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.57
Rot. Bonds5

About 2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide

2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide (PubChem CID 79546238) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide
PubChem CID79546238
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N1CCCC1CC(C)=O
InChIInChI=1S/C13H20N2O2/c1-4-7-14-13(17)11(3)15-8-5-6-12(15)9-10(2)16/h1,11-12H,5-9H2,2-3H3,(H,14,17)
InChIKeyYANPMFMRGUTBRM-UHFFFAOYSA-N
XLogP0.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide 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

N-butyl-2-[2-(2-oxopropyl)piperidin-1-yl]propanamide
CID 79539809
N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide
CID 79560458
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-prop-2-ynylpropanamide
CID 63849393
1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide
CID 114339675
N,N-dimethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]propanamide
CID 79546990
N-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62015104
2-piperidin-1-yl-N-prop-2-ynylpropanamide
CID 130156837
2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide
CID 60718862
2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide
CID 62020613
2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid
CID 61370335

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide (CID 79546238) is 2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)N1CCCC1CC(C)=O.
What is the InChIKey of 2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide?
The InChIKey is YANPMFMRGUTBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-7-14-13(17)11(3)15-8-5-6-12(15)9-10(2)16/h1,11-12H,5-9H2,2-3H3,(H,14,17).
What are the key properties of 2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide?
2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 79546238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).