sodium;carbon dioxide;1-methylpyrrolidin-5-ide

C6H10NNaO2 — CID 159833594

IUPACsodium;carbon dioxide;1-methylpyrrolidin-5-ide
SMILESCN1[CH-]CCC1.O=C=O.[Na+]
InChIInChI=1S/C5H10N.CO2.Na/c1-6-4-2-3-5-6;2-1-3;/h4H,2-3,5H2,1H3;;/q-1;;+1
InChIKeyRFFCVLJUROCKLT-UHFFFAOYSA-N
MW151.14 g/mol
LogP-2.71
Rot. Bonds

About sodium;carbon dioxide;1-methylpyrrolidin-5-ide

sodium;carbon dioxide;1-methylpyrrolidin-5-ide (PubChem CID 159833594) has the molecular formula C6H10NNaO2 and a molecular weight of 151.14 g/mol. Its IUPAC name is sodium;carbon dioxide;1-methylpyrrolidin-5-ide.

Molecular Properties

Compound Namesodium;carbon dioxide;1-methylpyrrolidin-5-ide
PubChem CID159833594
Molecular FormulaC6H10NNaO2
Molecular Weight151.14 g/mol
Exact Mass151.06
IUPAC Namesodium;carbon dioxide;1-methylpyrrolidin-5-ide
SMILESCN1[CH-]CCC1.O=C=O.[Na+]
InChIInChI=1S/C5H10N.CO2.Na/c1-6-4-2-3-5-6;2-1-3;/h4H,2-3,5H2,1H3;;/q-1;;+1
InChIKeyRFFCVLJUROCKLT-UHFFFAOYSA-N
XLogP-2.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 5-2.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;carbon dioxide;1-methylpyrrolidin-5-ide?
The IUPAC name of sodium;carbon dioxide;1-methylpyrrolidin-5-ide (CID 159833594) is sodium;carbon dioxide;1-methylpyrrolidin-5-ide.
What is the SMILES notation for sodium;carbon dioxide;1-methylpyrrolidin-5-ide?
The canonical SMILES for sodium;carbon dioxide;1-methylpyrrolidin-5-ide is CN1[CH-]CCC1.O=C=O.[Na+].
What is the InChIKey of sodium;carbon dioxide;1-methylpyrrolidin-5-ide?
The InChIKey is RFFCVLJUROCKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N.CO2.Na/c1-6-4-2-3-5-6;2-1-3;/h4H,2-3,5H2,1H3;;/q-1;;+1.
What are the key properties of sodium;carbon dioxide;1-methylpyrrolidin-5-ide?
sodium;carbon dioxide;1-methylpyrrolidin-5-ide has a molecular weight of 151.14 g/mol, XLogP of -2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbon dioxide;1-methylpyrrolidin-5-ide is sourced from PubChem (CID 159833594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).