sodium;ethane;pyrrolidine

C6H14NNa — CID 168978265

IUPACsodium;ethane;pyrrolidine
SMILESC1CCNC1.[CH2-]C.[Na+]
InChIInChI=1S/C4H9N.C2H5.Na/c1-2-4-5-3-1;1-2;/h5H,1-4H2;1H2,2H3;/q;-1;+1
InChIKeyCGYPGHIXGONFCW-UHFFFAOYSA-N
MW123.18 g/mol
LogP-1.79
Rot. Bonds

About sodium;ethane;pyrrolidine

sodium;ethane;pyrrolidine (PubChem CID 168978265) has the molecular formula C6H14NNa and a molecular weight of 123.18 g/mol. Its IUPAC name is sodium;ethane;pyrrolidine.

Molecular Properties

Compound Namesodium;ethane;pyrrolidine
PubChem CID168978265
Molecular FormulaC6H14NNa
Molecular Weight123.18 g/mol
Exact Mass123.10
IUPAC Namesodium;ethane;pyrrolidine
SMILESC1CCNC1.[CH2-]C.[Na+]
InChIInChI=1S/C4H9N.C2H5.Na/c1-2-4-5-3-1;1-2;/h5H,1-4H2;1H2,2H3;/q;-1;+1
InChIKeyCGYPGHIXGONFCW-UHFFFAOYSA-N
XLogP-1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 5-1.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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;ethane;pyrrolidine?
The IUPAC name of sodium;ethane;pyrrolidine (CID 168978265) is sodium;ethane;pyrrolidine.
What is the SMILES notation for sodium;ethane;pyrrolidine?
The canonical SMILES for sodium;ethane;pyrrolidine is C1CCNC1.[CH2-]C.[Na+].
What is the InChIKey of sodium;ethane;pyrrolidine?
The InChIKey is CGYPGHIXGONFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C2H5.Na/c1-2-4-5-3-1;1-2;/h5H,1-4H2;1H2,2H3;/q;-1;+1.
What are the key properties of sodium;ethane;pyrrolidine?
sodium;ethane;pyrrolidine has a molecular weight of 123.18 g/mol, XLogP of -1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethane;pyrrolidine is sourced from PubChem (CID 168978265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).