magnesium;pyrrolidin-2-one;dibromide

C4H7Br2MgNO — CID 67853208

IUPACmagnesium;pyrrolidin-2-one;dibromide
SMILESO=C1CCCN1.[Br-].[Br-].[Mg+2]
InChIInChI=1S/C4H7NO.2BrH.Mg/c6-4-2-1-3-5-4;;;/h1-3H2,(H,5,6);2*1H;/q;;;+2/p-2
InChIKeyBBXRZUZBTAVJPH-UHFFFAOYSA-L
MW269.22 g/mol
LogP-6.48
Rot. Bonds

About magnesium;pyrrolidin-2-one;dibromide

magnesium;pyrrolidin-2-one;dibromide (PubChem CID 67853208) has the molecular formula C4H7Br2MgNO and a molecular weight of 269.22 g/mol. Its IUPAC name is magnesium;pyrrolidin-2-one;dibromide.

Molecular Properties

Compound Namemagnesium;pyrrolidin-2-one;dibromide
PubChem CID67853208
Molecular FormulaC4H7Br2MgNO
Molecular Weight269.22 g/mol
Exact Mass266.87
IUPAC Namemagnesium;pyrrolidin-2-one;dibromide
SMILESO=C1CCCN1.[Br-].[Br-].[Mg+2]
InChIInChI=1S/C4H7NO.2BrH.Mg/c6-4-2-1-3-5-4;;;/h1-3H2,(H,5,6);2*1H;/q;;;+2/p-2
InChIKeyBBXRZUZBTAVJPH-UHFFFAOYSA-L
XLogP-6.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 5-6.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze magnesium;pyrrolidin-2-one;dibromide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of magnesium;pyrrolidin-2-one;dibromide?
The IUPAC name of magnesium;pyrrolidin-2-one;dibromide (CID 67853208) is magnesium;pyrrolidin-2-one;dibromide.
What is the SMILES notation for magnesium;pyrrolidin-2-one;dibromide?
The canonical SMILES for magnesium;pyrrolidin-2-one;dibromide is O=C1CCCN1.[Br-].[Br-].[Mg+2].
What is the InChIKey of magnesium;pyrrolidin-2-one;dibromide?
The InChIKey is BBXRZUZBTAVJPH-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H7NO.2BrH.Mg/c6-4-2-1-3-5-4;;;/h1-3H2,(H,5,6);2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;pyrrolidin-2-one;dibromide?
magnesium;pyrrolidin-2-one;dibromide has a molecular weight of 269.22 g/mol, XLogP of -6.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;pyrrolidin-2-one;dibromide is sourced from PubChem (CID 67853208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).