1,1-dimethylpyrrolidin-1-ium hydroxide

C6H15NO — CID 21468512

IUPAC1,1-dimethylpyrrolidin-1-ium hydroxide
SMILESC[N+]1(C)CCCC1.[OH-]
InChIInChI=1S/C6H14N.H2O/c1-7(2)5-3-4-6-7;/h3-6H2,1-2H3;1H2/q+1;/p-1
InChIKeyZBFDBUWSMWBSCI-UHFFFAOYSA-M
MW117.19 g/mol
LogP0.68
Rot. Bonds

About 1,1-dimethylpyrrolidin-1-ium hydroxide

1,1-dimethylpyrrolidin-1-ium hydroxide (PubChem CID 21468512) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 1,1-dimethylpyrrolidin-1-ium hydroxide.

Molecular Properties

Compound Name1,1-dimethylpyrrolidin-1-ium hydroxide
PubChem CID21468512
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name1,1-dimethylpyrrolidin-1-ium hydroxide
SMILESC[N+]1(C)CCCC1.[OH-]
InChIInChI=1S/C6H14N.H2O/c1-7(2)5-3-4-6-7;/h3-6H2,1-2H3;1H2/q+1;/p-1
InChIKeyZBFDBUWSMWBSCI-UHFFFAOYSA-M
XLogP0.68
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylpyrrolidin-1-ium hydroxide?
The IUPAC name of 1,1-dimethylpyrrolidin-1-ium hydroxide (CID 21468512) is 1,1-dimethylpyrrolidin-1-ium hydroxide.
What is the SMILES notation for 1,1-dimethylpyrrolidin-1-ium hydroxide?
The canonical SMILES for 1,1-dimethylpyrrolidin-1-ium hydroxide is C[N+]1(C)CCCC1.[OH-].
What is the InChIKey of 1,1-dimethylpyrrolidin-1-ium hydroxide?
The InChIKey is ZBFDBUWSMWBSCI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N.H2O/c1-7(2)5-3-4-6-7;/h3-6H2,1-2H3;1H2/q+1;/p-1.
What are the key properties of 1,1-dimethylpyrrolidin-1-ium hydroxide?
1,1-dimethylpyrrolidin-1-ium hydroxide has a molecular weight of 117.19 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylpyrrolidin-1-ium hydroxide is sourced from PubChem (CID 21468512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).