2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide

C13H25N3O — CID 54927639

IUPAC2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC1CCN(CC)C1
InChIInChI=1S/C13H25N3O/c1-4-7-14-13(17)11(3)15-9-12-6-8-16(5-2)10-12/h4,11-12,15H,1,5-10H2,2-3H3,(H,14,17)
InChIKeyOZPSMEVFIZERLV-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.61
Rot. Bonds7

About 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide

2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide (PubChem CID 54927639) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide
PubChem CID54927639
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC1CCN(CC)C1
InChIInChI=1S/C13H25N3O/c1-4-7-14-13(17)11(3)15-9-12-6-8-16(5-2)10-12/h4,11-12,15H,1,5-10H2,2-3H3,(H,14,17)
InChIKeyOZPSMEVFIZERLV-UHFFFAOYSA-N
XLogP0.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide (CID 54927639) is 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NCC1CCN(CC)C1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide?
The InChIKey is OZPSMEVFIZERLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-7-14-13(17)11(3)15-9-12-6-8-16(5-2)10-12/h4,11-12,15H,1,5-10H2,2-3H3,(H,14,17).
What are the key properties of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide?
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide has a molecular weight of 239.36 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 54927639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).