4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide

C12H17BrN2O — CID 62408223

IUPAC4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC1CC1NC(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C12H17BrN2O/c1-7(2)15-6-9(13)5-11(15)12(16)14-10-4-8(10)3/h5-8,10H,4H2,1-3H3,(H,14,16)
InChIKeyMEQHMJKNPMNUIP-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.97
Rot. Bonds3

About 4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 62408223) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID62408223
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC1CC1NC(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C12H17BrN2O/c1-7(2)15-6-9(13)5-11(15)12(16)14-10-4-8(10)3/h5-8,10H,4H2,1-3H3,(H,14,16)
InChIKeyMEQHMJKNPMNUIP-UHFFFAOYSA-N
XLogP2.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64908073
4-bromo-N-(3-methylcyclobutyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 115670996
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813510
4-bromo-1-methyl-N-(2-methylcyclopropyl)pyrrole-2-carboxamide
CID 62408030
4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 60956389
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 43640186
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-methylcyclopropyl)-1-propylpyrrole-2-carboxamide
CID 62408221
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
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593414
4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylpyrrole-2-carboxamide
CID 103868655

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 62408223) is 4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide is CC1CC1NC(=O)c1cc(Br)cn1C(C)C.
What is the InChIKey of 4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is MEQHMJKNPMNUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-7(2)15-6-9(13)5-11(15)12(16)14-10-4-8(10)3/h5-8,10H,4H2,1-3H3,(H,14,16).
What are the key properties of 4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 285.19 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 62408223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).