4-bromo-N-(3-ethenoxypropyl)-1-methylpyrrole-2-carboxamide

C11H15BrN2O2 — CID 60701929

IUPAC4-bromo-N-(3-ethenoxypropyl)-1-methylpyrrole-2-carboxamide
SMILESC=COCCCNC(=O)c1cc(Br)cn1C
InChIInChI=1S/C11H15BrN2O2/c1-3-16-6-4-5-13-11(15)10-7-9(12)8-14(10)2/h3,7-8H,1,4-6H2,2H3,(H,13,15)
InChIKeyBIKWIRCCQNVXPS-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.07
Rot. Bonds6

About 4-bromo-N-(3-ethenoxypropyl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(3-ethenoxypropyl)-1-methylpyrrole-2-carboxamide (PubChem CID 60701929) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-bromo-N-(3-ethenoxypropyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethenoxypropyl)-1-methylpyrrole-2-carboxamide
PubChem CID60701929
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name4-bromo-N-(3-ethenoxypropyl)-1-methylpyrrole-2-carboxamide
SMILESC=COCCCNC(=O)c1cc(Br)cn1C
InChIInChI=1S/C11H15BrN2O2/c1-3-16-6-4-5-13-11(15)10-7-9(12)8-14(10)2/h3,7-8H,1,4-6H2,2H3,(H,13,15)
InChIKeyBIKWIRCCQNVXPS-UHFFFAOYSA-N
XLogP2.07
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide
CID 43411143
4-bromo-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 60698861
ethyl 4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]butanoate
CID 60698954
4-bromo-1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrrole-2-carboxamide
CID 60712476
4-bromo-N-(3-cyclopentylpropyl)-1-methylpyrrole-2-carboxamide
CID 113221337
4-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 60956041
4-bromo-1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrole-2-carboxamide
CID 60698250
4-bromo-1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrole-2-carboxamide
CID 60701907
4-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 103767831
4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide
CID 43641446
4-bromo-1-methyl-N-[3-(N-methylanilino)propyl]pyrrole-2-carboxamide
CID 43411208
4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65111825

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethenoxypropyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-ethenoxypropyl)-1-methylpyrrole-2-carboxamide (CID 60701929) is 4-bromo-N-(3-ethenoxypropyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-ethenoxypropyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-ethenoxypropyl)-1-methylpyrrole-2-carboxamide is C=COCCCNC(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-(3-ethenoxypropyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is BIKWIRCCQNVXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-3-16-6-4-5-13-11(15)10-7-9(12)8-14(10)2/h3,7-8H,1,4-6H2,2H3,(H,13,15).
What are the key properties of 4-bromo-N-(3-ethenoxypropyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(3-ethenoxypropyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethenoxypropyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60701929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).