2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide

C11H19BrN2O — CID 62855383

IUPAC2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide
SMILESCCC(Br)C(=O)NC1CCN2CCCC12
InChIInChI=1S/C11H19BrN2O/c1-2-8(12)11(15)13-9-5-7-14-6-3-4-10(9)14/h8-10H,2-7H2,1H3,(H,13,15)
InChIKeyRIPNDAULNBGZBK-UHFFFAOYSA-N
MW275.19 g/mol
LogP1.51
Rot. Bonds3

About 2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide

2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide (PubChem CID 62855383) has the molecular formula C11H19BrN2O and a molecular weight of 275.19 g/mol. Its IUPAC name is 2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide
PubChem CID62855383
Molecular FormulaC11H19BrN2O
Molecular Weight275.19 g/mol
Exact Mass274.07
IUPAC Name2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide
SMILESCCC(Br)C(=O)NC1CCN2CCCC12
InChIInChI=1S/C11H19BrN2O/c1-2-8(12)11(15)13-9-5-7-14-6-3-4-10(9)14/h8-10H,2-7H2,1H3,(H,13,15)
InChIKeyRIPNDAULNBGZBK-UHFFFAOYSA-N
XLogP1.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-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

(2S,3S)-2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylpentanamide
CID 61155991
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide
CID 107903723
2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide
CID 43695810
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methyl-2-sulfanylbutanamide
CID 107025889
(2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide
CID 103813871
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanediamide
CID 54928214
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide
CID 54928683
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride
CID 119857996
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylbutanamide;dihydrochloride
CID 119857973
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide
CID 63680826
N-[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]propanamide
CID 71665848

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide?
The IUPAC name of 2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide (CID 62855383) is 2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide.
What is the SMILES notation for 2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide?
The canonical SMILES for 2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide is CCC(Br)C(=O)NC1CCN2CCCC12.
What is the InChIKey of 2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide?
The InChIKey is RIPNDAULNBGZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O/c1-2-8(12)11(15)13-9-5-7-14-6-3-4-10(9)14/h8-10H,2-7H2,1H3,(H,13,15).
What are the key properties of 2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide?
2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide has a molecular weight of 275.19 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide is sourced from PubChem (CID 62855383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).