1-methylpyrrolidin-3-ide-2-carbaldehyde;rubidium(1+)

C6H10NORb — CID 59650644

IUPAC1-methylpyrrolidin-3-ide-2-carbaldehyde;rubidium(1+)
SMILESCN1CC[CH-]C1C=O.[Rb+]
InChIInChI=1S/C6H10NO.Rb/c1-7-4-2-3-6(7)5-8;/h3,5-6H,2,4H2,1H3;/q-1;+1
InChIKeyMXIFWZSALMGQLZ-UHFFFAOYSA-N
MW197.62 g/mol
LogP-2.90
Rot. Bonds1

About 1-methylpyrrolidin-3-ide-2-carbaldehyde;rubidium(1+)

1-methylpyrrolidin-3-ide-2-carbaldehyde;rubidium(1+) (PubChem CID 59650644) has the molecular formula C6H10NORb and a molecular weight of 197.62 g/mol. Its IUPAC name is 1-methylpyrrolidin-3-ide-2-carbaldehyde;rubidium(1+).

Molecular Properties

Compound Name1-methylpyrrolidin-3-ide-2-carbaldehyde;rubidium(1+)
PubChem CID59650644
Molecular FormulaC6H10NORb
Molecular Weight197.62 g/mol
Exact Mass196.99
IUPAC Name1-methylpyrrolidin-3-ide-2-carbaldehyde;rubidium(1+)
SMILESCN1CC[CH-]C1C=O.[Rb+]
InChIInChI=1S/C6H10NO.Rb/c1-7-4-2-3-6(7)5-8;/h3,5-6H,2,4H2,1H3;/q-1;+1
InChIKeyMXIFWZSALMGQLZ-UHFFFAOYSA-N
XLogP-2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 5-2.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-3-ide-2-carbaldehyde;rubidium(1+)?
The IUPAC name of 1-methylpyrrolidin-3-ide-2-carbaldehyde;rubidium(1+) (CID 59650644) is 1-methylpyrrolidin-3-ide-2-carbaldehyde;rubidium(1+).
What is the SMILES notation for 1-methylpyrrolidin-3-ide-2-carbaldehyde;rubidium(1+)?
The canonical SMILES for 1-methylpyrrolidin-3-ide-2-carbaldehyde;rubidium(1+) is CN1CC[CH-]C1C=O.[Rb+].
What is the InChIKey of 1-methylpyrrolidin-3-ide-2-carbaldehyde;rubidium(1+)?
The InChIKey is MXIFWZSALMGQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO.Rb/c1-7-4-2-3-6(7)5-8;/h3,5-6H,2,4H2,1H3;/q-1;+1.
What are the key properties of 1-methylpyrrolidin-3-ide-2-carbaldehyde;rubidium(1+)?
1-methylpyrrolidin-3-ide-2-carbaldehyde;rubidium(1+) has a molecular weight of 197.62 g/mol, XLogP of -2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-3-ide-2-carbaldehyde;rubidium(1+) is sourced from PubChem (CID 59650644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).