4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide

C9H13BrN2O2 — CID 60702158

IUPAC4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(CCO)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C9H13BrN2O2/c1-11(3-4-13)9(14)8-5-7(10)6-12(8)2/h5-6,13H,3-4H2,1-2H3
InChIKeyYPKNNSZFOPDRNC-UHFFFAOYSA-N
MW261.12 g/mol
LogP0.85
Rot. Bonds3

About 4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide

4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 60702158) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide
PubChem CID60702158
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(CCO)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C9H13BrN2O2/c1-11(3-4-13)9(14)8-5-7(10)6-12(8)2/h5-6,13H,3-4H2,1-2H3
InChIKeyYPKNNSZFOPDRNC-UHFFFAOYSA-N
XLogP0.85
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide
CID 63693703
4-bromo-N-hexyl-N-(2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
CID 54878088
4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 79036710
N-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide
CID 79652794
4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
CID 43641486
4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 60698328
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
CID 60955727
4-amino-N-[2-(4-bromophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61114305
4-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 60956041
4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 43432093
4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 60955764
4-bromo-N,1-dimethyl-N-[(3-nitrophenyl)methyl]pyrrole-2-carboxamide
CID 60955589

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide (CID 60702158) is 4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide is CN(CCO)C(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is YPKNNSZFOPDRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-11(3-4-13)9(14)8-5-7(10)6-12(8)2/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide?
4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 261.12 g/mol, XLogP of 0.85, 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-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 60702158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).