2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide

C12H23N3O — CID 63267346

IUPAC2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCC(CNC)C1
InChIInChI=1S/C12H23N3O/c1-4-6-14-12(16)10(2)15-7-5-11(9-15)8-13-3/h4,10-11,13H,1,5-9H2,2-3H3,(H,14,16)
InChIKeyKAXLSADFIMMHJY-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.22
Rot. Bonds6

About 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide

2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide (PubChem CID 63267346) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide
PubChem CID63267346
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCC(CNC)C1
InChIInChI=1S/C12H23N3O/c1-4-6-14-12(16)10(2)15-7-5-11(9-15)8-13-3/h4,10-11,13H,1,5-9H2,2-3H3,(H,14,16)
InChIKeyKAXLSADFIMMHJY-UHFFFAOYSA-N
XLogP0.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-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

Related Compounds

2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide
CID 63849477
N-cyclopentyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide;hydrochloride
CID 119922095
1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 43385844
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide
CID 56787482
N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63249433
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride
CID 119922213
N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204053
methyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 78920485
(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide
CID 94444756
N-cyclopropyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204430
(2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 94062189
N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
CID 119922516

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide (CID 63267346) is 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N1CCC(CNC)C1.
What is the InChIKey of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide?
The InChIKey is KAXLSADFIMMHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-6-14-12(16)10(2)15-7-5-11(9-15)8-13-3/h4,10-11,13H,1,5-9H2,2-3H3,(H,14,16).
What are the key properties of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide?
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide has a molecular weight of 225.34 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 63267346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).