N-(1-prop-2-enoylpyrrolidin-2-yl)-N-propylprop-2-enamide

C13H20N2O2 — CID 54114917

IUPACN-(1-prop-2-enoylpyrrolidin-2-yl)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)C1CCCN1C(=O)C=C
InChIInChI=1S/C13H20N2O2/c1-4-9-14(12(16)5-2)11-8-7-10-15(11)13(17)6-3/h5-6,11H,2-4,7-10H2,1H3
InChIKeyNJRCOEUERJEPSV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.55
Rot. Bonds5

About N-(1-prop-2-enoylpyrrolidin-2-yl)-N-propylprop-2-enamide

N-(1-prop-2-enoylpyrrolidin-2-yl)-N-propylprop-2-enamide (PubChem CID 54114917) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(1-prop-2-enoylpyrrolidin-2-yl)-N-propylprop-2-enamide.

Molecular Properties

Compound NameN-(1-prop-2-enoylpyrrolidin-2-yl)-N-propylprop-2-enamide
PubChem CID54114917
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(1-prop-2-enoylpyrrolidin-2-yl)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)C1CCCN1C(=O)C=C
InChIInChI=1S/C13H20N2O2/c1-4-9-14(12(16)5-2)11-8-7-10-15(11)13(17)6-3/h5-6,11H,2-4,7-10H2,1H3
InChIKeyNJRCOEUERJEPSV-UHFFFAOYSA-N
XLogP1.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(1-prop-2-enoylpyrrolidin-2-yl)-N-propylprop-2-enamide 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 N-(1-prop-2-enoylpyrrolidin-2-yl)-N-propylprop-2-enamide?
The IUPAC name of N-(1-prop-2-enoylpyrrolidin-2-yl)-N-propylprop-2-enamide (CID 54114917) is N-(1-prop-2-enoylpyrrolidin-2-yl)-N-propylprop-2-enamide.
What is the SMILES notation for N-(1-prop-2-enoylpyrrolidin-2-yl)-N-propylprop-2-enamide?
The canonical SMILES for N-(1-prop-2-enoylpyrrolidin-2-yl)-N-propylprop-2-enamide is C=CC(=O)N(CCC)C1CCCN1C(=O)C=C.
What is the InChIKey of N-(1-prop-2-enoylpyrrolidin-2-yl)-N-propylprop-2-enamide?
The InChIKey is NJRCOEUERJEPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-9-14(12(16)5-2)11-8-7-10-15(11)13(17)6-3/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of N-(1-prop-2-enoylpyrrolidin-2-yl)-N-propylprop-2-enamide?
N-(1-prop-2-enoylpyrrolidin-2-yl)-N-propylprop-2-enamide has a molecular weight of 236.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-prop-2-enoylpyrrolidin-2-yl)-N-propylprop-2-enamide is sourced from PubChem (CID 54114917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).