ethyl 3-(methylamino)prop-2-enoate;rubidium(1+)

C6H10NO2Rb — CID 59119332

IUPACethyl 3-(methylamino)prop-2-enoate;rubidium(1+)
SMILESCCOC(=O)/C=[C-]/NC.[Rb+]
InChIInChI=1S/C6H10NO2.Rb/c1-3-9-6(8)4-5-7-2;/h4,7H,3H2,1-2H3;/q-1;+1
InChIKeyPYSSDMHEKMAQJJ-UHFFFAOYSA-N
MW213.62 g/mol
LogP-2.91
Rot. Bonds3

About ethyl 3-(methylamino)prop-2-enoate;rubidium(1+)

ethyl 3-(methylamino)prop-2-enoate;rubidium(1+) (PubChem CID 59119332) has the molecular formula C6H10NO2Rb and a molecular weight of 213.62 g/mol. Its IUPAC name is ethyl 3-(methylamino)prop-2-enoate;rubidium(1+).

Molecular Properties

Compound Nameethyl 3-(methylamino)prop-2-enoate;rubidium(1+)
PubChem CID59119332
Molecular FormulaC6H10NO2Rb
Molecular Weight213.62 g/mol
Exact Mass212.98
IUPAC Nameethyl 3-(methylamino)prop-2-enoate;rubidium(1+)
SMILESCCOC(=O)/C=[C-]/NC.[Rb+]
InChIInChI=1S/C6H10NO2.Rb/c1-3-9-6(8)4-5-7-2;/h4,7H,3H2,1-2H3;/q-1;+1
InChIKeyPYSSDMHEKMAQJJ-UHFFFAOYSA-N
XLogP-2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 5-2.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 3-(methylamino)prop-2-enoate;rubidium(1+) 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

ethyl 2-oxoacetate;N-methylmethanamine
CID 162730007
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
(2-ethoxy-2-oxoethylidene)rhodium
CID 135017037
diethyl (Z)-but-2-enedioate;ethanol
CID 161113311
cadmium;(Z)-4-ethoxy-4-oxobut-2-enoate
CID 175407856
ethyl prop-2-enoate
CID 170661177
1-O-ethyl 4-O-methyl (E)-2,3-dideuteriobut-2-enedioate
CID 138978817
chloroethene;ethene;ethyl prop-2-enoate
CID 86733401
ethyl 3-amino-3-(hydroxyamino)prop-2-enoate
CID 170922879
6-O-ethyl 1-O-methyl (2E,4E)-hexa-2,4-dienedioate
CID 87458458
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methylamino)prop-2-enoate;rubidium(1+)?
The IUPAC name of ethyl 3-(methylamino)prop-2-enoate;rubidium(1+) (CID 59119332) is ethyl 3-(methylamino)prop-2-enoate;rubidium(1+).
What is the SMILES notation for ethyl 3-(methylamino)prop-2-enoate;rubidium(1+)?
The canonical SMILES for ethyl 3-(methylamino)prop-2-enoate;rubidium(1+) is CCOC(=O)/C=[C-]/NC.[Rb+].
What is the InChIKey of ethyl 3-(methylamino)prop-2-enoate;rubidium(1+)?
The InChIKey is PYSSDMHEKMAQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO2.Rb/c1-3-9-6(8)4-5-7-2;/h4,7H,3H2,1-2H3;/q-1;+1.
What are the key properties of ethyl 3-(methylamino)prop-2-enoate;rubidium(1+)?
ethyl 3-(methylamino)prop-2-enoate;rubidium(1+) has a molecular weight of 213.62 g/mol, XLogP of -2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methylamino)prop-2-enoate;rubidium(1+) is sourced from PubChem (CID 59119332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).