4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide

C11H15BrN2O2 — CID 63294689

IUPAC4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NCC(O)C1CC1
InChIInChI=1S/C11H15BrN2O2/c1-14-6-8(12)4-9(14)11(16)13-5-10(15)7-2-3-7/h4,6-7,10,15H,2-3,5H2,1H3,(H,13,16)
InChIKeyKMKJRRDXOVBSRW-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.29
Rot. Bonds4

About 4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide (PubChem CID 63294689) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
PubChem CID63294689
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NCC(O)C1CC1
InChIInChI=1S/C11H15BrN2O2/c1-14-6-8(12)4-9(14)11(16)13-5-10(15)7-2-3-7/h4,6-7,10,15H,2-3,5H2,1H3,(H,13,16)
InChIKeyKMKJRRDXOVBSRW-UHFFFAOYSA-N
XLogP1.29
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid
CID 62696089
4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 81063480
N-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119614922
2-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107473753
4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide
CID 97228400
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 63294148
4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
CID 75381546
4-bromo-N-(3-cyclopentylpropyl)-1-methylpyrrole-2-carboxamide
CID 113221337
4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 103722169
4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 65119775
4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide
CID 71986188
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-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide (CID 63294689) is 4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)NCC(O)C1CC1.
What is the InChIKey of 4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is KMKJRRDXOVBSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-14-6-8(12)4-9(14)11(16)13-5-10(15)7-2-3-7/h4,6-7,10,15H,2-3,5H2,1H3,(H,13,16).
What are the key properties of 4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 63294689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).