ethyl 2-methanidylprop-2-enoate;tungsten

C6H9O2W- — CID 59905114

IUPACethyl 2-methanidylprop-2-enoate;tungsten
SMILESC=C([CH2-])C(=O)OCC.[W]
InChIInChI=1S/C6H9O2.W/c1-4-8-6(7)5(2)3;/h2-4H2,1H3;/q-1;
InChIKeyMQUWNQDTUFTOEA-UHFFFAOYSA-N
MW296.98 g/mol
LogP0.94
Rot. Bonds2

About ethyl 2-methanidylprop-2-enoate;tungsten

ethyl 2-methanidylprop-2-enoate;tungsten (PubChem CID 59905114) has the molecular formula C6H9O2W- and a molecular weight of 296.98 g/mol. Its IUPAC name is ethyl 2-methanidylprop-2-enoate;tungsten.

Molecular Properties

Compound Nameethyl 2-methanidylprop-2-enoate;tungsten
PubChem CID59905114
Molecular FormulaC6H9O2W-
Molecular Weight296.98 g/mol
Exact Mass297.01
IUPAC Nameethyl 2-methanidylprop-2-enoate;tungsten
SMILESC=C([CH2-])C(=O)OCC.[W]
InChIInChI=1S/C6H9O2.W/c1-4-8-6(7)5(2)3;/h2-4H2,1H3;/q-1;
InChIKeyMQUWNQDTUFTOEA-UHFFFAOYSA-N
XLogP0.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.98
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

ethyl 2-methylprop-2-enoate
CID 130475774
diethyl 2-methylidenepropanedioate;mercury
CID 174815236
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;methane
CID 159235789
CID 159370772
CID 159370772
CID 175995571
CID 175995571
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
sodium 3-ethoxy-3-oxoprop-1-en-2-olate
CID 87313714
ethyl carbamate;bis(2-methylprop-1-ene)
CID 159122273
ethyl 2-(hydroperoxymethyl)prop-2-enoate
CID 19795051

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methanidylprop-2-enoate;tungsten?
The IUPAC name of ethyl 2-methanidylprop-2-enoate;tungsten (CID 59905114) is ethyl 2-methanidylprop-2-enoate;tungsten.
What is the SMILES notation for ethyl 2-methanidylprop-2-enoate;tungsten?
The canonical SMILES for ethyl 2-methanidylprop-2-enoate;tungsten is C=C([CH2-])C(=O)OCC.[W].
What is the InChIKey of ethyl 2-methanidylprop-2-enoate;tungsten?
The InChIKey is MQUWNQDTUFTOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O2.W/c1-4-8-6(7)5(2)3;/h2-4H2,1H3;/q-1;.
What are the key properties of ethyl 2-methanidylprop-2-enoate;tungsten?
ethyl 2-methanidylprop-2-enoate;tungsten has a molecular weight of 296.98 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methanidylprop-2-enoate;tungsten is sourced from PubChem (CID 59905114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).