(Z)-3-ethoxy-2-methanidylprop-2-enal;rubidium(1+)

C6H9O2Rb — CID 59975592

IUPAC(Z)-3-ethoxy-2-methanidylprop-2-enal;rubidium(1+)
SMILES[CH2-]/C(C=O)=C/OCC.[Rb+]
InChIInChI=1S/C6H9O2.Rb/c1-3-8-5-6(2)4-7;/h4-5H,2-3H2,1H3;/q-1;+1/b6-5-;
InChIKeyQPCSAYZQOQGGBY-YSMBQZINSA-N
MW198.60 g/mol
LogP-2.06
Rot. Bonds3

About (Z)-3-ethoxy-2-methanidylprop-2-enal;rubidium(1+)

(Z)-3-ethoxy-2-methanidylprop-2-enal;rubidium(1+) (PubChem CID 59975592) has the molecular formula C6H9O2Rb and a molecular weight of 198.60 g/mol. Its IUPAC name is (Z)-3-ethoxy-2-methanidylprop-2-enal;rubidium(1+).

Molecular Properties

Compound Name(Z)-3-ethoxy-2-methanidylprop-2-enal;rubidium(1+)
PubChem CID59975592
Molecular FormulaC6H9O2Rb
Molecular Weight198.60 g/mol
Exact Mass197.97
IUPAC Name(Z)-3-ethoxy-2-methanidylprop-2-enal;rubidium(1+)
SMILES[CH2-]/C(C=O)=C/OCC.[Rb+]
InChIInChI=1S/C6H9O2.Rb/c1-3-8-5-6(2)4-7;/h4-5H,2-3H2,1H3;/q-1;+1/b6-5-;
InChIKeyQPCSAYZQOQGGBY-YSMBQZINSA-N
XLogP-2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.60
LogP ≤ 5-2.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethoxy-2-methanidylprop-2-enal;rubidium(1+)?
The IUPAC name of (Z)-3-ethoxy-2-methanidylprop-2-enal;rubidium(1+) (CID 59975592) is (Z)-3-ethoxy-2-methanidylprop-2-enal;rubidium(1+).
What is the SMILES notation for (Z)-3-ethoxy-2-methanidylprop-2-enal;rubidium(1+)?
The canonical SMILES for (Z)-3-ethoxy-2-methanidylprop-2-enal;rubidium(1+) is [CH2-]/C(C=O)=C/OCC.[Rb+].
What is the InChIKey of (Z)-3-ethoxy-2-methanidylprop-2-enal;rubidium(1+)?
The InChIKey is QPCSAYZQOQGGBY-YSMBQZINSA-N. The full InChI is InChI=1S/C6H9O2.Rb/c1-3-8-5-6(2)4-7;/h4-5H,2-3H2,1H3;/q-1;+1/b6-5-;.
What are the key properties of (Z)-3-ethoxy-2-methanidylprop-2-enal;rubidium(1+)?
(Z)-3-ethoxy-2-methanidylprop-2-enal;rubidium(1+) has a molecular weight of 198.60 g/mol, XLogP of -2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethoxy-2-methanidylprop-2-enal;rubidium(1+) is sourced from PubChem (CID 59975592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).