4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide

C15H22BrN3O — CID 60956389

IUPAC4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NC1CCN2CCCC12
InChIInChI=1S/C15H22BrN3O/c1-10(2)19-9-11(16)8-14(19)15(20)17-12-5-7-18-6-3-4-13(12)18/h8-10,12-13H,3-7H2,1-2H3,(H,17,20)
InChIKeyDCYDLDSWBUGOEM-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.80
Rot. Bonds3

About 4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 60956389) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID60956389
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NC1CCN2CCCC12
InChIInChI=1S/C15H22BrN3O/c1-10(2)19-9-11(16)8-14(19)15(20)17-12-5-7-18-6-3-4-13(12)18/h8-10,12-13H,3-7H2,1-2H3,(H,17,20)
InChIKeyDCYDLDSWBUGOEM-UHFFFAOYSA-N
XLogP2.80
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 60955990
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)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 60955841
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
3-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide
CID 79464819
5-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylthiophene-2-carboxamide
CID 79964116
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide
CID 107903723

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide (CID 60956389) is 4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)NC1CCN2CCCC12.
What is the InChIKey of 4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is DCYDLDSWBUGOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-10(2)19-9-11(16)8-14(19)15(20)17-12-5-7-18-6-3-4-13(12)18/h8-10,12-13H,3-7H2,1-2H3,(H,17,20).
What are the key properties of 4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 340.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 60956389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).