(4-bromo-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone

C11H16BrN3O — CID 43410882

IUPAC(4-bromo-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(Br)c[nH]2)CC1
InChIInChI=1S/C11H16BrN3O/c1-2-14-3-5-15(6-4-14)11(16)10-7-9(12)8-13-10/h7-8,13H,2-6H2,1H3
InChIKeyRNGXSVZZMATCIS-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.55
Rot. Bonds2

About (4-bromo-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone

(4-bromo-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 43410882) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is (4-bromo-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID43410882
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name(4-bromo-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(Br)c[nH]2)CC1
InChIInChI=1S/C11H16BrN3O/c1-2-14-3-5-15(6-4-14)11(16)10-7-9(12)8-13-10/h7-8,13H,2-6H2,1H3
InChIKeyRNGXSVZZMATCIS-UHFFFAOYSA-N
XLogP1.55
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(4-bromo-1H-pyrrol-2-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
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(4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (4-bromo-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone (CID 43410882) is (4-bromo-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-bromo-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(Br)c[nH]2)CC1.
What is the InChIKey of (4-bromo-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is RNGXSVZZMATCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-2-14-3-5-15(6-4-14)11(16)10-7-9(12)8-13-10/h7-8,13H,2-6H2,1H3.
What are the key properties of (4-bromo-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
(4-bromo-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 286.17 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 43410882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).