1-(4-bromophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide

C17H19BrN2O2 — CID 2883786

IUPAC1-(4-bromophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H19BrN2O2/c1-3-9-19(10-4-2)17(22)13-11-16(21)20(12-13)15-7-5-14(18)6-8-15/h3-8,13H,1-2,9-12H2
InChIKeyMNSKHNCMACWRNE-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.00
Rot. Bonds6

About 1-(4-bromophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide

1-(4-bromophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide (PubChem CID 2883786) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide
PubChem CID2883786
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name1-(4-bromophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H19BrN2O2/c1-3-9-19(10-4-2)17(22)13-11-16(21)20(12-13)15-7-5-14(18)6-8-15/h3-8,13H,1-2,9-12H2
InChIKeyMNSKHNCMACWRNE-UHFFFAOYSA-N
XLogP3.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide 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 1-(4-bromophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide (CID 2883786) is 1-(4-bromophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide is C=CCN(CC=C)C(=O)C1CC(=O)N(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide?
The InChIKey is MNSKHNCMACWRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-3-9-19(10-4-2)17(22)13-11-16(21)20(12-13)15-7-5-14(18)6-8-15/h3-8,13H,1-2,9-12H2.
What are the key properties of 1-(4-bromophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide?
1-(4-bromophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 2883786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).