1-aminopyrrolidine-2,5-dione;1-bromopyrrolidine-2,5-dione;hydrochloride

C8H11BrClN3O4 — CID 158728774

IUPAC1-aminopyrrolidine-2,5-dione;1-bromopyrrolidine-2,5-dione;hydrochloride
SMILESCl.NN1C(=O)CCC1=O.O=C1CCC(=O)N1Br
InChIInChI=1S/C4H4BrNO2.C4H6N2O2.ClH/c2*5-6-3(7)1-2-4(6)8;/h1-2H2;1-2,5H2;1H
InChIKeyQFLNNZUQDXXVRD-UHFFFAOYSA-N
MW328.55 g/mol
LogP-0.12
Rot. Bonds

About 1-aminopyrrolidine-2,5-dione;1-bromopyrrolidine-2,5-dione;hydrochloride

1-aminopyrrolidine-2,5-dione;1-bromopyrrolidine-2,5-dione;hydrochloride (PubChem CID 158728774) has the molecular formula C8H11BrClN3O4 and a molecular weight of 328.55 g/mol. Its IUPAC name is 1-aminopyrrolidine-2,5-dione;1-bromopyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-aminopyrrolidine-2,5-dione;1-bromopyrrolidine-2,5-dione;hydrochloride
PubChem CID158728774
Molecular FormulaC8H11BrClN3O4
Molecular Weight328.55 g/mol
Exact Mass326.96
IUPAC Name1-aminopyrrolidine-2,5-dione;1-bromopyrrolidine-2,5-dione;hydrochloride
SMILESCl.NN1C(=O)CCC1=O.O=C1CCC(=O)N1Br
InChIInChI=1S/C4H4BrNO2.C4H6N2O2.ClH/c2*5-6-3(7)1-2-4(6)8;/h1-2H2;1-2,5H2;1H
InChIKeyQFLNNZUQDXXVRD-UHFFFAOYSA-N
XLogP-0.12
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.55
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-bromopyrrolidine-2,5-dione;hydroiodide
CID 172714463
1-bromopyrrolidine-2,5-dione;λ2-stannane
CID 174907562
1-bromopyrrolidine-2,5-dione;propan-2-one
CID 23350280
1-bromopyrrolidine-2,5-dione;1-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-dione
CID 159582577
1-bromopyrrolidine-2,5-dione;2-pyridin-2-ylpyridine
CID 174842042
lithium;1-bromopyrrolidine-2,5-dione;dioxalooxyborinate
CID 174924188
3-bromopyrazolo[1,5-a]pyridine;1-bromopyrrolidine-2,5-dione
CID 159601525
1-aminopiperidin-2-one;hydrochloride
CID 66839493
4-bromo-3-methylbenzoic acid;1-bromopyrrolidine-2,5-dione
CID 175371153
1,2-diaminopyrazolidine-3,5-dione
CID 150306808
CID 59806961
CID 59806961
CID 58928873
CID 58928873

Frequently Asked Questions

What is the IUPAC name of 1-aminopyrrolidine-2,5-dione;1-bromopyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of 1-aminopyrrolidine-2,5-dione;1-bromopyrrolidine-2,5-dione;hydrochloride (CID 158728774) is 1-aminopyrrolidine-2,5-dione;1-bromopyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for 1-aminopyrrolidine-2,5-dione;1-bromopyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for 1-aminopyrrolidine-2,5-dione;1-bromopyrrolidine-2,5-dione;hydrochloride is Cl.NN1C(=O)CCC1=O.O=C1CCC(=O)N1Br.
What is the InChIKey of 1-aminopyrrolidine-2,5-dione;1-bromopyrrolidine-2,5-dione;hydrochloride?
The InChIKey is QFLNNZUQDXXVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNO2.C4H6N2O2.ClH/c2*5-6-3(7)1-2-4(6)8;/h1-2H2;1-2,5H2;1H.
What are the key properties of 1-aminopyrrolidine-2,5-dione;1-bromopyrrolidine-2,5-dione;hydrochloride?
1-aminopyrrolidine-2,5-dione;1-bromopyrrolidine-2,5-dione;hydrochloride has a molecular weight of 328.55 g/mol, XLogP of -0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopyrrolidine-2,5-dione;1-bromopyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 158728774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).