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

C10H17BrN2O — CID 63680826

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide
SMILESO=C(CBr)NC1CCN2CCCCC12
InChIInChI=1S/C10H17BrN2O/c11-7-10(14)12-8-4-6-13-5-2-1-3-9(8)13/h8-9H,1-7H2,(H,12,14)
InChIKeyQZJKQYSBQFVJMY-UHFFFAOYSA-N
MW261.16 g/mol
LogP1.12
Rot. Bonds2

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

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide (PubChem CID 63680826) has the molecular formula C10H17BrN2O and a molecular weight of 261.16 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide
PubChem CID63680826
Molecular FormulaC10H17BrN2O
Molecular Weight261.16 g/mol
Exact Mass260.05
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide
SMILESO=C(CBr)NC1CCN2CCCCC12
InChIInChI=1S/C10H17BrN2O/c11-7-10(14)12-8-4-6-13-5-2-1-3-9(8)13/h8-9H,1-7H2,(H,12,14)
InChIKeyQZJKQYSBQFVJMY-UHFFFAOYSA-N
XLogP1.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 51.12
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-bromoacetamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide (CID 63680826) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide is O=C(CBr)NC1CCN2CCCCC12.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide?
The InChIKey is QZJKQYSBQFVJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O/c11-7-10(14)12-8-4-6-13-5-2-1-3-9(8)13/h8-9H,1-7H2,(H,12,14).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide has a molecular weight of 261.16 g/mol, XLogP of 1.12, 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-bromoacetamide is sourced from PubChem (CID 63680826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).