2-(3-bromo-2-oxopyrrolidin-1-yl)-N-propylacetamide

C9H15BrN2O2 — CID 63787712

IUPAC2-(3-bromo-2-oxopyrrolidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(Br)C1=O
InChIInChI=1S/C9H15BrN2O2/c1-2-4-11-8(13)6-12-5-3-7(10)9(12)14/h7H,2-6H2,1H3,(H,11,13)
InChIKeyQKBSMUYMNQTBEI-UHFFFAOYSA-N
MW263.13 g/mol
LogP0.51
Rot. Bonds4

About 2-(3-bromo-2-oxopyrrolidin-1-yl)-N-propylacetamide

2-(3-bromo-2-oxopyrrolidin-1-yl)-N-propylacetamide (PubChem CID 63787712) has the molecular formula C9H15BrN2O2 and a molecular weight of 263.13 g/mol. Its IUPAC name is 2-(3-bromo-2-oxopyrrolidin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-bromo-2-oxopyrrolidin-1-yl)-N-propylacetamide
PubChem CID63787712
Molecular FormulaC9H15BrN2O2
Molecular Weight263.13 g/mol
Exact Mass262.03
IUPAC Name2-(3-bromo-2-oxopyrrolidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(Br)C1=O
InChIInChI=1S/C9H15BrN2O2/c1-2-4-11-8(13)6-12-5-3-7(10)9(12)14/h7H,2-6H2,1H3,(H,11,13)
InChIKeyQKBSMUYMNQTBEI-UHFFFAOYSA-N
XLogP0.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-bromo-2-oxopyrrolidin-1-yl)-N-propylacetamide 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-(3-bromo-2-oxopyrrolidin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(3-bromo-2-oxopyrrolidin-1-yl)-N-propylacetamide (CID 63787712) is 2-(3-bromo-2-oxopyrrolidin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(3-bromo-2-oxopyrrolidin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(3-bromo-2-oxopyrrolidin-1-yl)-N-propylacetamide is CCCNC(=O)CN1CCC(Br)C1=O.
What is the InChIKey of 2-(3-bromo-2-oxopyrrolidin-1-yl)-N-propylacetamide?
The InChIKey is QKBSMUYMNQTBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O2/c1-2-4-11-8(13)6-12-5-3-7(10)9(12)14/h7H,2-6H2,1H3,(H,11,13).
What are the key properties of 2-(3-bromo-2-oxopyrrolidin-1-yl)-N-propylacetamide?
2-(3-bromo-2-oxopyrrolidin-1-yl)-N-propylacetamide has a molecular weight of 263.13 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-oxopyrrolidin-1-yl)-N-propylacetamide is sourced from PubChem (CID 63787712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).