N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide

C11H14BrN3O — CID 43640446

IUPACN-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
SMILESNC1CC1NC(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C11H14BrN3O/c12-6-3-10(15(5-6)7-1-2-7)11(16)14-9-4-8(9)13/h3,5,7-9H,1-2,4,13H2,(H,14,16)
InChIKeyHGAYRTRPRTZOQW-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.41
Rot. Bonds3

About N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide

N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 43640446) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
PubChem CID43640446
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC NameN-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
SMILESNC1CC1NC(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C11H14BrN3O/c12-6-3-10(15(5-6)7-1-2-7)11(16)14-9-4-8(9)13/h3,5,7-9H,1-2,4,13H2,(H,14,16)
InChIKeyHGAYRTRPRTZOQW-UHFFFAOYSA-N
XLogP1.41
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide
CID 43641450
N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 66187704
4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide
CID 64734090
4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640968
N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43641687
4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
CID 60954815
4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide
CID 64747843
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085
N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 63193983
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid
CID 43640386
4-bromo-1-cyclopropyl-N-(2,2-dimethoxyethyl)pyrrole-2-carboxamide
CID 61248178
N-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 113282136

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide (CID 43640446) is N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide is NC1CC1NC(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is HGAYRTRPRTZOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c12-6-3-10(15(5-6)7-1-2-7)11(16)14-9-4-8(9)13/h3,5,7-9H,1-2,4,13H2,(H,14,16).
What are the key properties of N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 284.16 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 43640446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).