4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide

C11H15BrN2O — CID 115637079

IUPAC4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCCCC1CC1)c1cc(Br)c[nH]1
InChIInChI=1S/C11H15BrN2O/c12-9-6-10(14-7-9)11(15)13-5-1-2-8-3-4-8/h6-8,14H,1-5H2,(H,13,15)
InChIKeyWAGSFJOLWDSVOY-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.70
Rot. Bonds5

About 4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide

4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide (PubChem CID 115637079) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide
PubChem CID115637079
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCCCC1CC1)c1cc(Br)c[nH]1
InChIInChI=1S/C11H15BrN2O/c12-9-6-10(14-7-9)11(15)13-5-1-2-8-3-4-8/h6-8,14H,1-5H2,(H,13,15)
InChIKeyWAGSFJOLWDSVOY-UHFFFAOYSA-N
XLogP2.70
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[3-(cyclopropylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43596530
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 115600313
N-(3-aminopropyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 61249115
N-(4-amino-4-oxobutyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 47191038
4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 18108948
4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide
CID 63871118
4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43601766
4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
CID 107413497
4-bromo-N-(3-methylsulfonylpropyl)-1H-pyrrole-2-carboxamide
CID 55139504
4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide
CID 47940069
4-bromo-N'-(3-cyclopentylpropanoyl)-1H-pyrrole-2-carbohydrazide
CID 40716111
4-bromo-N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 32979369

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide (CID 115637079) is 4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide is O=C(NCCCC1CC1)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is WAGSFJOLWDSVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-9-6-10(14-7-9)11(15)13-5-1-2-8-3-4-8/h6-8,14H,1-5H2,(H,13,15).
What are the key properties of 4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 271.16 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 115637079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).