4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide

C15H21N3O — CID 62976548

IUPAC4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC2CCN(C)C2)cc1
InChIInChI=1S/C15H21N3O/c1-3-9-16-15(19)12-4-6-13(7-5-12)17-14-8-10-18(2)11-14/h3-7,14,17H,1,8-11H2,2H3,(H,16,19)
InChIKeyVZIHULKZTIPSGB-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.72
Rot. Bonds5

About 4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide

4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide (PubChem CID 62976548) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide
PubChem CID62976548
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC2CCN(C)C2)cc1
InChIInChI=1S/C15H21N3O/c1-3-9-16-15(19)12-4-6-13(7-5-12)17-14-8-10-18(2)11-14/h3-7,14,17H,1,8-11H2,2H3,(H,16,19)
InChIKeyVZIHULKZTIPSGB-UHFFFAOYSA-N
XLogP1.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide 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 4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide (CID 62976548) is 4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NC2CCN(C)C2)cc1.
What is the InChIKey of 4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide?
The InChIKey is VZIHULKZTIPSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-9-16-15(19)12-4-6-13(7-5-12)17-14-8-10-18(2)11-14/h3-7,14,17H,1,8-11H2,2H3,(H,16,19).
What are the key properties of 4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide?
4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide has a molecular weight of 259.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 62976548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).