(3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide

C6H14INO — CID 146627833

IUPAC(3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide
SMILESC[N+]1(C)CC[C@@H](O)C1.[I-]
InChIInChI=1S/C6H14NO.HI/c1-7(2)4-3-6(8)5-7;/h6,8H,3-5H2,1-2H3;1H/q+1;/p-1/t6-;/m1./s1
InChIKeyZTRKDLPOEOIXKS-FYZOBXCZSA-M
MW243.09 g/mol
LogP-3.17
Rot. Bonds

About (3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide

(3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide (PubChem CID 146627833) has the molecular formula C6H14INO and a molecular weight of 243.09 g/mol. Its IUPAC name is (3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide.

Molecular Properties

Compound Name(3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide
PubChem CID146627833
Molecular FormulaC6H14INO
Molecular Weight243.09 g/mol
Exact Mass243.01
IUPAC Name(3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide
SMILESC[N+]1(C)CC[C@@H](O)C1.[I-]
InChIInChI=1S/C6H14NO.HI/c1-7(2)4-3-6(8)5-7;/h6,8H,3-5H2,1-2H3;1H/q+1;/p-1/t6-;/m1./s1
InChIKeyZTRKDLPOEOIXKS-FYZOBXCZSA-M
XLogP-3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 5-3.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-1,1,3-trimethylpiperidin-1-ium-4-ol
CID 7168625
5-azoniaspiro[4.4]nonan-3-ol hydroxide
CID 175828407
5-azoniaspiro[4.5]decan-3-ol
CID 152942581
3-bromo-1,1-dimethylpyrrolidin-1-ium
CID 146629635
1,1-dimethylaziridin-1-ium iodide
CID 88764737
4-tert-butyl-1,1-dimethylpiperidin-1-ium iodide
CID 71352793
2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol
CID 20676421
1,1-dimethylpiperidin-1-ium-3-ol;2-hydroxy-2,2-diphenylacetate
CID 23615823
1-methyl-1-phenylpiperidin-1-ium-3-ol
CID 70522148
4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-1,1-dimethylpiperidin-1-ium
CID 89441858
1,1-dimethylpiperidin-1-ium-4-carboxylic acid;hydroiodide
CID 175590401
(4aS,7R,8aR)-1,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-7-ol iodide
CID 11109699

Frequently Asked Questions

What is the IUPAC name of (3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide?
The IUPAC name of (3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide (CID 146627833) is (3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide.
What is the SMILES notation for (3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide?
The canonical SMILES for (3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide is C[N+]1(C)CC[C@@H](O)C1.[I-].
What is the InChIKey of (3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide?
The InChIKey is ZTRKDLPOEOIXKS-FYZOBXCZSA-M. The full InChI is InChI=1S/C6H14NO.HI/c1-7(2)4-3-6(8)5-7;/h6,8H,3-5H2,1-2H3;1H/q+1;/p-1/t6-;/m1./s1.
What are the key properties of (3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide?
(3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide has a molecular weight of 243.09 g/mol, XLogP of -3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide is sourced from PubChem (CID 146627833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).