3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride

C15H19BrClN3O2 — CID 119412734

IUPAC3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride
SMILESCl.N[C@@H]1CCN(C(=O)C2CCN(c3ccccc3Br)C2=O)C1
InChIInChI=1S/C15H18BrN3O2.ClH/c16-12-3-1-2-4-13(12)19-8-6-11(15(19)21)14(20)18-7-5-10(17)9-18;/h1-4,10-11H,5-9,17H2;1H/t10-,11?;/m1./s1
InChIKeyOSSGLAUWZCFFCK-QUUNXCOLSA-N
MW388.69 g/mol
LogP1.78
Rot. Bonds2

About 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride

3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride (PubChem CID 119412734) has the molecular formula C15H19BrClN3O2 and a molecular weight of 388.69 g/mol. Its IUPAC name is 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride
PubChem CID119412734
Molecular FormulaC15H19BrClN3O2
Molecular Weight388.69 g/mol
Exact Mass387.03
IUPAC Name3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride
SMILESCl.N[C@@H]1CCN(C(=O)C2CCN(c3ccccc3Br)C2=O)C1
InChIInChI=1S/C15H18BrN3O2.ClH/c16-12-3-1-2-4-13(12)19-8-6-11(15(19)21)14(20)18-7-5-10(17)9-18;/h1-4,10-11H,5-9,17H2;1H/t10-,11?;/m1./s1
InChIKeyOSSGLAUWZCFFCK-QUUNXCOLSA-N
XLogP1.78
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.69
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 94010469
1-(2-bromophenyl)-3-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78887013
1-[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257102
(3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 124695127
(3R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 124695032
1-[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355870
N-[(2S)-1-aminopropan-2-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120506040
1-(3-aminopyrrolidin-1-yl)-3-(2-bromophenyl)prop-2-en-1-one;hydrochloride
CID 126781859
1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
CID 71893622
(3S)-3-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one
CID 124611408
[(3S)-3-aminopyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119934524
N-[2-(aminomethyl)cyclopentyl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119604411

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride (CID 119412734) is 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride is Cl.N[C@@H]1CCN(C(=O)C2CCN(c3ccccc3Br)C2=O)C1.
What is the InChIKey of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is OSSGLAUWZCFFCK-QUUNXCOLSA-N. The full InChI is InChI=1S/C15H18BrN3O2.ClH/c16-12-3-1-2-4-13(12)19-8-6-11(15(19)21)14(20)18-7-5-10(17)9-18;/h1-4,10-11H,5-9,17H2;1H/t10-,11?;/m1./s1.
What are the key properties of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride?
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 388.69 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119412734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).