magnesium;carbanide;1-methyl-3H-pyrrol-3-ide

C6H9MgN — CID 18338525

IUPACmagnesium;carbanide;1-methyl-3H-pyrrol-3-ide
SMILESCn1c[c-]cc1.[CH3-].[Mg+2]
InChIInChI=1S/C5H6N.CH3.Mg/c1-6-4-2-3-5-6;;/h2,4-5H,1H3;1H3;/q2*-1;+2
InChIKeyAXVUVDXGUWKUOB-UHFFFAOYSA-N
MW119.45 g/mol
LogP0.89
Rot. Bonds

About magnesium;carbanide;1-methyl-3H-pyrrol-3-ide

magnesium;carbanide;1-methyl-3H-pyrrol-3-ide (PubChem CID 18338525) has the molecular formula C6H9MgN and a molecular weight of 119.45 g/mol. Its IUPAC name is magnesium;carbanide;1-methyl-3H-pyrrol-3-ide.

Molecular Properties

Compound Namemagnesium;carbanide;1-methyl-3H-pyrrol-3-ide
PubChem CID18338525
Molecular FormulaC6H9MgN
Molecular Weight119.45 g/mol
Exact Mass119.06
IUPAC Namemagnesium;carbanide;1-methyl-3H-pyrrol-3-ide
SMILESCn1c[c-]cc1.[CH3-].[Mg+2]
InChIInChI=1S/C5H6N.CH3.Mg/c1-6-4-2-3-5-6;;/h2,4-5H,1H3;1H3;/q2*-1;+2
InChIKeyAXVUVDXGUWKUOB-UHFFFAOYSA-N
XLogP0.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.45
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;1-methyl-3H-pyrrol-3-ide?
The IUPAC name of magnesium;carbanide;1-methyl-3H-pyrrol-3-ide (CID 18338525) is magnesium;carbanide;1-methyl-3H-pyrrol-3-ide.
What is the SMILES notation for magnesium;carbanide;1-methyl-3H-pyrrol-3-ide?
The canonical SMILES for magnesium;carbanide;1-methyl-3H-pyrrol-3-ide is Cn1c[c-]cc1.[CH3-].[Mg+2].
What is the InChIKey of magnesium;carbanide;1-methyl-3H-pyrrol-3-ide?
The InChIKey is AXVUVDXGUWKUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N.CH3.Mg/c1-6-4-2-3-5-6;;/h2,4-5H,1H3;1H3;/q2*-1;+2.
What are the key properties of magnesium;carbanide;1-methyl-3H-pyrrol-3-ide?
magnesium;carbanide;1-methyl-3H-pyrrol-3-ide has a molecular weight of 119.45 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;carbanide;1-methyl-3H-pyrrol-3-ide is sourced from PubChem (CID 18338525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).