[(3R)-3-aminopyrrolidin-1-yl]-(5-bromo-1H-pyrrol-3-yl)methanone;hydrochloride

C9H13BrClN3O — CID 131101757

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(5-bromo-1H-pyrrol-3-yl)methanone;hydrochloride
SMILESCl.N[C@@H]1CCN(C(=O)c2c[nH]c(Br)c2)C1
InChIInChI=1S/C9H12BrN3O.ClH/c10-8-3-6(4-12-8)9(14)13-2-1-7(11)5-13;/h3-4,7,12H,1-2,5,11H2;1H/t7-;/m1./s1
InChIKeyWXIKPDVZGCNHEM-OGFXRTJISA-N
MW294.58 g/mol
LogP1.37
Rot. Bonds1

About [(3R)-3-aminopyrrolidin-1-yl]-(5-bromo-1H-pyrrol-3-yl)methanone;hydrochloride

[(3R)-3-aminopyrrolidin-1-yl]-(5-bromo-1H-pyrrol-3-yl)methanone;hydrochloride (PubChem CID 131101757) has the molecular formula C9H13BrClN3O and a molecular weight of 294.58 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(5-bromo-1H-pyrrol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(5-bromo-1H-pyrrol-3-yl)methanone;hydrochloride
PubChem CID131101757
Molecular FormulaC9H13BrClN3O
Molecular Weight294.58 g/mol
Exact Mass292.99
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(5-bromo-1H-pyrrol-3-yl)methanone;hydrochloride
SMILESCl.N[C@@H]1CCN(C(=O)c2c[nH]c(Br)c2)C1
InChIInChI=1S/C9H12BrN3O.ClH/c10-8-3-6(4-12-8)9(14)13-2-1-7(11)5-13;/h3-4,7,12H,1-2,5,11H2;1H/t7-;/m1./s1
InChIKeyWXIKPDVZGCNHEM-OGFXRTJISA-N
XLogP1.37
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.58
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(3R)-3-aminopyrrolidin-1-yl]-(5-bromo-1H-pyrrol-3-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride
CID 119483030
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705169
[(3S)-3-aminopyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119934528
(3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 62067197
(3-aminopyrrolidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727512
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532
[(3S)-3-aminopyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone;hydrochloride
CID 119934163
(3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
CID 62068437
(3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119482519
(3-aminopyrrolidin-1-yl)-[3-bromo-4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 176508133
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(5-bromo-1H-pyrrol-3-yl)methanone;hydrochloride?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(5-bromo-1H-pyrrol-3-yl)methanone;hydrochloride (CID 131101757) is [(3R)-3-aminopyrrolidin-1-yl]-(5-bromo-1H-pyrrol-3-yl)methanone;hydrochloride.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(5-bromo-1H-pyrrol-3-yl)methanone;hydrochloride?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(5-bromo-1H-pyrrol-3-yl)methanone;hydrochloride is Cl.N[C@@H]1CCN(C(=O)c2c[nH]c(Br)c2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(5-bromo-1H-pyrrol-3-yl)methanone;hydrochloride?
The InChIKey is WXIKPDVZGCNHEM-OGFXRTJISA-N. The full InChI is InChI=1S/C9H12BrN3O.ClH/c10-8-3-6(4-12-8)9(14)13-2-1-7(11)5-13;/h3-4,7,12H,1-2,5,11H2;1H/t7-;/m1./s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(5-bromo-1H-pyrrol-3-yl)methanone;hydrochloride?
[(3R)-3-aminopyrrolidin-1-yl]-(5-bromo-1H-pyrrol-3-yl)methanone;hydrochloride has a molecular weight of 294.58 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(5-bromo-1H-pyrrol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 131101757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).