2-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide

C11H19BrN2O2 — CID 62854674

IUPAC2-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide
SMILESCCC(Br)C(=O)NC(C)CN1CCCC1=O
InChIInChI=1S/C11H19BrN2O2/c1-3-9(12)11(16)13-8(2)7-14-6-4-5-10(14)15/h8-9H,3-7H2,1-2H3,(H,13,16)
InChIKeyFGWXYGOZKDAOAF-UHFFFAOYSA-N
MW291.19 g/mol
LogP1.29
Rot. Bonds5

About 2-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide

2-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide (PubChem CID 62854674) has the molecular formula C11H19BrN2O2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide
PubChem CID62854674
Molecular FormulaC11H19BrN2O2
Molecular Weight291.19 g/mol
Exact Mass290.06
IUPAC Name2-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide
SMILESCCC(Br)C(=O)NC(C)CN1CCCC1=O
InChIInChI=1S/C11H19BrN2O2/c1-3-9(12)11(16)13-8(2)7-14-6-4-5-10(14)15/h8-9H,3-7H2,1-2H3,(H,13,16)
InChIKeyFGWXYGOZKDAOAF-UHFFFAOYSA-N
XLogP1.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide 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

CID 165618989
CID 165618989
CID 46189501
CID 46189501
CID 58430301
CID 58430301
CID 59400511
CID 59400511
CID 59400524
CID 59400524
CID 59400545
CID 59400545
CID 59464746
CID 59464746
CID 60935632
CID 60935632
CID 67415848
CID 67415848
CID 67415849
CID 67415849
CID 68090659
CID 68090659
CID 68150333
CID 68150333

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide?
The IUPAC name of 2-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide (CID 62854674) is 2-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide.
What is the SMILES notation for 2-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide?
The canonical SMILES for 2-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide is CCC(Br)C(=O)NC(C)CN1CCCC1=O.
What is the InChIKey of 2-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide?
The InChIKey is FGWXYGOZKDAOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2/c1-3-9(12)11(16)13-8(2)7-14-6-4-5-10(14)15/h8-9H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 2-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide?
2-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide has a molecular weight of 291.19 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]butanamide is sourced from PubChem (CID 62854674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).