magnesium;carbamic acid;carbanide;bromide

C2H6BrMgNO2 — CID 118393524

IUPACmagnesium;carbamic acid;carbanide;bromide
SMILESNC(=O)O.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/CH3NO2.CH3.BrH.Mg/c2-1(3)4;;;/h2H2,(H,3,4);1H3;1H;/q;-1;;+2/p-1
InChIKeyYOWZIFYYBKHFKS-UHFFFAOYSA-M
MW180.28 g/mol
LogP-3.30
Rot. Bonds

About magnesium;carbamic acid;carbanide;bromide

magnesium;carbamic acid;carbanide;bromide (PubChem CID 118393524) has the molecular formula C2H6BrMgNO2 and a molecular weight of 180.28 g/mol. Its IUPAC name is magnesium;carbamic acid;carbanide;bromide.

Molecular Properties

Compound Namemagnesium;carbamic acid;carbanide;bromide
PubChem CID118393524
Molecular FormulaC2H6BrMgNO2
Molecular Weight180.28 g/mol
Exact Mass178.94
IUPAC Namemagnesium;carbamic acid;carbanide;bromide
SMILESNC(=O)O.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/CH3NO2.CH3.BrH.Mg/c2-1(3)4;;;/h2H2,(H,3,4);1H3;1H;/q;-1;;+2/p-1
InChIKeyYOWZIFYYBKHFKS-UHFFFAOYSA-M
XLogP-3.30
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 5-3.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze magnesium;carbamic acid;carbanide;bromide 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

carbamic acid;copper
CID 87387020
carbamic acid;yttrium
CID 20702274
carbamic acid;plumbane
CID 173013217
carbamic acid;cobalt
CID 87314881
carbamic acid;iridium
CID 58983452
carbamic acid;indigane
CID 174683885
carbamic acid fluoride
CID 169488270
carbamic acid;nickel(2+);sulfanide
CID 175324677
Carbamic acid--silanol (1/1)
CID 78063810
carbamic acid;formaldehyde
CID 173133375
dimagnesium;carbanide;carbonic acid
CID 173113406
magnesium;carbonic acid;dibromide
CID 175416809

Frequently Asked Questions

What is the IUPAC name of magnesium;carbamic acid;carbanide;bromide?
The IUPAC name of magnesium;carbamic acid;carbanide;bromide (CID 118393524) is magnesium;carbamic acid;carbanide;bromide.
What is the SMILES notation for magnesium;carbamic acid;carbanide;bromide?
The canonical SMILES for magnesium;carbamic acid;carbanide;bromide is NC(=O)O.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;carbamic acid;carbanide;bromide?
The InChIKey is YOWZIFYYBKHFKS-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3NO2.CH3.BrH.Mg/c2-1(3)4;;;/h2H2,(H,3,4);1H3;1H;/q;-1;;+2/p-1.
What are the key properties of magnesium;carbamic acid;carbanide;bromide?
magnesium;carbamic acid;carbanide;bromide has a molecular weight of 180.28 g/mol, XLogP of -3.30, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;carbamic acid;carbanide;bromide is sourced from PubChem (CID 118393524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).