magnesium;carbanide;prop-1-ene;hydrochloride

C4H9ClMg — CID 89401779

IUPACmagnesium;carbanide;prop-1-ene;hydrochloride
SMILESCl.[CH3-].[H]/[C-]=C\C.[Mg+2]
InChIInChI=1S/C3H5.CH3.ClH.Mg/c1-3-2;;;/h1,3H,2H3;1H3;1H;/q2*-1;;+2
InChIKeyHBBKOERLMQEGJL-UHFFFAOYSA-N
MW116.87 g/mol
LogP1.49
Rot. Bonds

About magnesium;carbanide;prop-1-ene;hydrochloride

magnesium;carbanide;prop-1-ene;hydrochloride (PubChem CID 89401779) has the molecular formula C4H9ClMg and a molecular weight of 116.87 g/mol. Its IUPAC name is magnesium;carbanide;prop-1-ene;hydrochloride.

Molecular Properties

Compound Namemagnesium;carbanide;prop-1-ene;hydrochloride
PubChem CID89401779
Molecular FormulaC4H9ClMg
Molecular Weight116.87 g/mol
Exact Mass116.02
IUPAC Namemagnesium;carbanide;prop-1-ene;hydrochloride
SMILESCl.[CH3-].[H]/[C-]=C\C.[Mg+2]
InChIInChI=1S/C3H5.CH3.ClH.Mg/c1-3-2;;;/h1,3H,2H3;1H3;1H;/q2*-1;;+2
InChIKeyHBBKOERLMQEGJL-UHFFFAOYSA-N
XLogP1.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.87
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 140974875
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CID 173003583
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CID 141374787
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Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;prop-1-ene;hydrochloride?
The IUPAC name of magnesium;carbanide;prop-1-ene;hydrochloride (CID 89401779) is magnesium;carbanide;prop-1-ene;hydrochloride.
What is the SMILES notation for magnesium;carbanide;prop-1-ene;hydrochloride?
The canonical SMILES for magnesium;carbanide;prop-1-ene;hydrochloride is Cl.[CH3-].[H]/[C-]=C\C.[Mg+2].
What is the InChIKey of magnesium;carbanide;prop-1-ene;hydrochloride?
The InChIKey is HBBKOERLMQEGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5.CH3.ClH.Mg/c1-3-2;;;/h1,3H,2H3;1H3;1H;/q2*-1;;+2.
What are the key properties of magnesium;carbanide;prop-1-ene;hydrochloride?
magnesium;carbanide;prop-1-ene;hydrochloride has a molecular weight of 116.87 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;carbanide;prop-1-ene;hydrochloride is sourced from PubChem (CID 89401779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).