N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide

C16H24BrN3O — CID 60955990

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NC1CCN2CCCCC12
InChIInChI=1S/C16H24BrN3O/c1-11(2)20-10-12(17)9-15(20)16(21)18-13-6-8-19-7-4-3-5-14(13)19/h9-11,13-14H,3-8H2,1-2H3,(H,18,21)
InChIKeyBNTXTZBHWYYOPZ-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.19
Rot. Bonds3

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 60955990) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID60955990
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NC1CCN2CCCCC12
InChIInChI=1S/C16H24BrN3O/c1-11(2)20-10-12(17)9-15(20)16(21)18-13-6-8-19-7-4-3-5-14(13)19/h9-11,13-14H,3-8H2,1-2H3,(H,18,21)
InChIKeyBNTXTZBHWYYOPZ-UHFFFAOYSA-N
XLogP3.19
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 60956389
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 60955841
4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64908073
4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 62408223
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813510
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide
CID 107903723
4-bromo-N-(3-methylcyclobutyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 115670996
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 43640186
4-bromo-N-(1,1-dioxothiolan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640729
4-bromo-N-(3-methylsulfanylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 103707546
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 100839330
4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 94414860

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide (CID 60955990) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)NC1CCN2CCCCC12.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is BNTXTZBHWYYOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-11(2)20-10-12(17)9-15(20)16(21)18-13-6-8-19-7-4-3-5-14(13)19/h9-11,13-14H,3-8H2,1-2H3,(H,18,21).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 354.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 60955990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).