1-bromopyrrolidine-2,5-dione;hydroiodide

C4H5BrINO2 — CID 172714463

IUPAC1-bromopyrrolidine-2,5-dione;hydroiodide
SMILESI.O=C1CCC(=O)N1Br
InChIInChI=1S/C4H4BrNO2.HI/c5-6-3(7)1-2-4(6)8;/h1-2H2;1H
InChIKeyFRGDPOGNLRSXJD-UHFFFAOYSA-N
MW305.90 g/mol
LogP1.06
Rot. Bonds

About 1-bromopyrrolidine-2,5-dione;hydroiodide

1-bromopyrrolidine-2,5-dione;hydroiodide (PubChem CID 172714463) has the molecular formula C4H5BrINO2 and a molecular weight of 305.90 g/mol. Its IUPAC name is 1-bromopyrrolidine-2,5-dione;hydroiodide.

Molecular Properties

Compound Name1-bromopyrrolidine-2,5-dione;hydroiodide
PubChem CID172714463
Molecular FormulaC4H5BrINO2
Molecular Weight305.90 g/mol
Exact Mass304.85
IUPAC Name1-bromopyrrolidine-2,5-dione;hydroiodide
SMILESI.O=C1CCC(=O)N1Br
InChIInChI=1S/C4H4BrNO2.HI/c5-6-3(7)1-2-4(6)8;/h1-2H2;1H
InChIKeyFRGDPOGNLRSXJD-UHFFFAOYSA-N
XLogP1.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.90
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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;λ2-stannane
CID 174907562
1-bromopyrrolidine-2,5-dione;propan-2-one
CID 23350280
1-aminopyrrolidine-2,5-dione;1-bromopyrrolidine-2,5-dione;hydrochloride
CID 158728774
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
4-bromo-3-methylbenzoic acid;1-bromopyrrolidine-2,5-dione
CID 175371153
CID 59806961
CID 59806961
CID 58928873
CID 58928873
tetrakis(1-hydroxypyrrolidine-2,5-dione);λ2-stannane
CID 173205649
azane;1-hydroxypyrrolidine-2,5-dione
CID 11073454

Frequently Asked Questions

What is the IUPAC name of 1-bromopyrrolidine-2,5-dione;hydroiodide?
The IUPAC name of 1-bromopyrrolidine-2,5-dione;hydroiodide (CID 172714463) is 1-bromopyrrolidine-2,5-dione;hydroiodide.
What is the SMILES notation for 1-bromopyrrolidine-2,5-dione;hydroiodide?
The canonical SMILES for 1-bromopyrrolidine-2,5-dione;hydroiodide is I.O=C1CCC(=O)N1Br.
What is the InChIKey of 1-bromopyrrolidine-2,5-dione;hydroiodide?
The InChIKey is FRGDPOGNLRSXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNO2.HI/c5-6-3(7)1-2-4(6)8;/h1-2H2;1H.
What are the key properties of 1-bromopyrrolidine-2,5-dione;hydroiodide?
1-bromopyrrolidine-2,5-dione;hydroiodide has a molecular weight of 305.90 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopyrrolidine-2,5-dione;hydroiodide is sourced from PubChem (CID 172714463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).