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

C15H22BrN3O — CID 60955841

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC1CCN2CCCCC12
InChIInChI=1S/C15H22BrN3O/c1-2-18-10-11(16)9-14(18)15(20)17-12-6-8-19-7-4-3-5-13(12)19/h9-10,12-13H,2-8H2,1H3,(H,17,20)
InChIKeyNRGGSQPPIYMTPJ-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.63
Rot. Bonds3

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

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-ethylpyrrole-2-carboxamide (PubChem CID 60955841) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-ethylpyrrole-2-carboxamide
PubChem CID60955841
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC1CCN2CCCCC12
InChIInChI=1S/C15H22BrN3O/c1-2-18-10-11(16)9-14(18)15(20)17-12-6-8-19-7-4-3-5-13(12)19/h9-10,12-13H,2-8H2,1H3,(H,17,20)
InChIKeyNRGGSQPPIYMTPJ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide
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CID 60956389
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CID 55211463
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CID 61212021
4-bromo-1-ethyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640965
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CID 79350450
4-bromo-1-ethyl-N-piperidin-3-ylpyrrole-2-carboxamide;hydrochloride
CID 119424531
4-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66223097
4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide
CID 62093648

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-ethylpyrrole-2-carboxamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-ethylpyrrole-2-carboxamide (CID 60955841) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NC1CCN2CCCCC12.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-ethylpyrrole-2-carboxamide?
The InChIKey is NRGGSQPPIYMTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-2-18-10-11(16)9-14(18)15(20)17-12-6-8-19-7-4-3-5-13(12)19/h9-10,12-13H,2-8H2,1H3,(H,17,20).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-ethylpyrrole-2-carboxamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-ethylpyrrole-2-carboxamide has a molecular weight of 340.27 g/mol, XLogP of 2.63, 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-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 60955841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).