magnesium;2-(dimethylamino)ethyl prop-2-enoate;methanidylbenzene;chloride

C14H20ClMgNO2 — CID 174747752

IUPACmagnesium;2-(dimethylamino)ethyl prop-2-enoate;methanidylbenzene;chloride
SMILESC=CC(=O)OCCN(C)C.[CH2-]c1ccccc1.[Cl-].[Mg+2]
InChIInChI=1S/C7H13NO2.C7H7.ClH.Mg/c1-4-7(9)10-6-5-8(2)3;1-7-5-3-2-4-6-7;;/h4H,1,5-6H2,2-3H3;2-6H,1H2;1H;/q;-1;;+2/p-1
InChIKeyUXANLCFLBKHWPJ-UHFFFAOYSA-M
MW294.08 g/mol
LogP-1.23
Rot. Bonds4

About magnesium;2-(dimethylamino)ethyl prop-2-enoate;methanidylbenzene;chloride

magnesium;2-(dimethylamino)ethyl prop-2-enoate;methanidylbenzene;chloride (PubChem CID 174747752) has the molecular formula C14H20ClMgNO2 and a molecular weight of 294.08 g/mol. Its IUPAC name is magnesium;2-(dimethylamino)ethyl prop-2-enoate;methanidylbenzene;chloride.

Molecular Properties

Compound Namemagnesium;2-(dimethylamino)ethyl prop-2-enoate;methanidylbenzene;chloride
PubChem CID174747752
Molecular FormulaC14H20ClMgNO2
Molecular Weight294.08 g/mol
Exact Mass293.10
IUPAC Namemagnesium;2-(dimethylamino)ethyl prop-2-enoate;methanidylbenzene;chloride
SMILESC=CC(=O)OCCN(C)C.[CH2-]c1ccccc1.[Cl-].[Mg+2]
InChIInChI=1S/C7H13NO2.C7H7.ClH.Mg/c1-4-7(9)10-6-5-8(2)3;1-7-5-3-2-4-6-7;;/h4H,1,5-6H2,2-3H3;2-6H,1H2;1H;/q;-1;;+2/p-1
InChIKeyUXANLCFLBKHWPJ-UHFFFAOYSA-M
XLogP-1.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.08
LogP ≤ 5-1.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)ethyl prop-2-enoate;phenylmethanamine;hydrochloride
CID 174580927
bromoethane;2-(dimethylamino)ethyl prop-2-enoate
CID 174957893
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene
CID 174493800
CID 174984966
CID 174984966
2-(dibenzylamino)ethyl prop-2-enoate
CID 18943210
carbanide;2-(4-methanidylphenyl)ethyl prop-2-enoate;yttrium
CID 58731460
2-(N-[[N-(2-acetyloxyethyl)anilino]disulfanyl]anilino)ethyl prop-2-enoate
CID 177123986
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
[(Z)-3-phenylhex-3-enyl] prop-2-enoate
CID 142724131
2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate
CID 59017027
2-[4-[2-[4-(benzenesulfonyl)phenyl]ethenyl]-N-methylanilino]ethyl prop-2-enoate
CID 54481432

Frequently Asked Questions

What is the IUPAC name of magnesium;2-(dimethylamino)ethyl prop-2-enoate;methanidylbenzene;chloride?
The IUPAC name of magnesium;2-(dimethylamino)ethyl prop-2-enoate;methanidylbenzene;chloride (CID 174747752) is magnesium;2-(dimethylamino)ethyl prop-2-enoate;methanidylbenzene;chloride.
What is the SMILES notation for magnesium;2-(dimethylamino)ethyl prop-2-enoate;methanidylbenzene;chloride?
The canonical SMILES for magnesium;2-(dimethylamino)ethyl prop-2-enoate;methanidylbenzene;chloride is C=CC(=O)OCCN(C)C.[CH2-]c1ccccc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-(dimethylamino)ethyl prop-2-enoate;methanidylbenzene;chloride?
The InChIKey is UXANLCFLBKHWPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13NO2.C7H7.ClH.Mg/c1-4-7(9)10-6-5-8(2)3;1-7-5-3-2-4-6-7;;/h4H,1,5-6H2,2-3H3;2-6H,1H2;1H;/q;-1;;+2/p-1.
What are the key properties of magnesium;2-(dimethylamino)ethyl prop-2-enoate;methanidylbenzene;chloride?
magnesium;2-(dimethylamino)ethyl prop-2-enoate;methanidylbenzene;chloride has a molecular weight of 294.08 g/mol, XLogP of -1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-(dimethylamino)ethyl prop-2-enoate;methanidylbenzene;chloride is sourced from PubChem (CID 174747752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).