N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide

C11H19BrN2O — CID 107903723

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide
SMILESCC(Br)C(=O)NC1CCN2CCCCC12
InChIInChI=1S/C11H19BrN2O/c1-8(12)11(15)13-9-5-7-14-6-3-2-4-10(9)14/h8-10H,2-7H2,1H3,(H,13,15)
InChIKeyFOBKTBLFMUNDGI-UHFFFAOYSA-N
MW275.19 g/mol
LogP1.51
Rot. Bonds2

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide (PubChem CID 107903723) has the molecular formula C11H19BrN2O and a molecular weight of 275.19 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide
PubChem CID107903723
Molecular FormulaC11H19BrN2O
Molecular Weight275.19 g/mol
Exact Mass274.07
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide
SMILESCC(Br)C(=O)NC1CCN2CCCCC12
InChIInChI=1S/C11H19BrN2O/c1-8(12)11(15)13-9-5-7-14-6-3-2-4-10(9)14/h8-10H,2-7H2,1H3,(H,13,15)
InChIKeyFOBKTBLFMUNDGI-UHFFFAOYSA-N
XLogP1.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide (CID 107903723) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide is CC(Br)C(=O)NC1CCN2CCCCC12.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide?
The InChIKey is FOBKTBLFMUNDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O/c1-8(12)11(15)13-9-5-7-14-6-3-2-4-10(9)14/h8-10H,2-7H2,1H3,(H,13,15).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide has a molecular weight of 275.19 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide is sourced from PubChem (CID 107903723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).