(3S,5S)-1-methanidyl-5-methylpyrrolidin-1-ium-3-ol

C6H13NO — CID 59130953

IUPAC(3S,5S)-1-methanidyl-5-methylpyrrolidin-1-ium-3-ol
SMILES[CH2-][NH+]1C[C@@H](O)C[C@@H]1C
InChIInChI=1S/C6H13NO/c1-5-3-6(8)4-7(5)2/h5-8H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyLSMISZPIQGHLLU-WDSKDSINSA-N
MW115.18 g/mol
LogP-1.18
Rot. Bonds

About (3S,5S)-1-methanidyl-5-methylpyrrolidin-1-ium-3-ol

(3S,5S)-1-methanidyl-5-methylpyrrolidin-1-ium-3-ol (PubChem CID 59130953) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (3S,5S)-1-methanidyl-5-methylpyrrolidin-1-ium-3-ol.

Molecular Properties

Compound Name(3S,5S)-1-methanidyl-5-methylpyrrolidin-1-ium-3-ol
PubChem CID59130953
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(3S,5S)-1-methanidyl-5-methylpyrrolidin-1-ium-3-ol
SMILES[CH2-][NH+]1C[C@@H](O)C[C@@H]1C
InChIInChI=1S/C6H13NO/c1-5-3-6(8)4-7(5)2/h5-8H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyLSMISZPIQGHLLU-WDSKDSINSA-N
XLogP-1.18
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S)-1,5-dimethylpiperidin-1-ium-3-ol
CID 6984944
(3S,5S)-1,5-dimethylpyrrolidin-3-ol
CID 59896080
(5R)-2-methanidyl-2-azoniabicyclo[2.2.1]heptan-5-ol
CID 88553666
(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-ol
CID 7201099
cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol
CID 130964756
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
2-amino-4,5-dimethylcyclohexan-1-ol
CID 13425492
potassium cyclopropanol
CID 18764435
cyclobutane-1,3-diol
CID 175518786
(2R,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxamide
CID 118191009
(3R,5R)-1,5-ditert-butylpiperidin-1-ium-3-ol
CID 6921143
methanamine;3-methylcyclohexan-1-ol
CID 174923816

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-methanidyl-5-methylpyrrolidin-1-ium-3-ol?
The IUPAC name of (3S,5S)-1-methanidyl-5-methylpyrrolidin-1-ium-3-ol (CID 59130953) is (3S,5S)-1-methanidyl-5-methylpyrrolidin-1-ium-3-ol.
What is the SMILES notation for (3S,5S)-1-methanidyl-5-methylpyrrolidin-1-ium-3-ol?
The canonical SMILES for (3S,5S)-1-methanidyl-5-methylpyrrolidin-1-ium-3-ol is [CH2-][NH+]1C[C@@H](O)C[C@@H]1C.
What is the InChIKey of (3S,5S)-1-methanidyl-5-methylpyrrolidin-1-ium-3-ol?
The InChIKey is LSMISZPIQGHLLU-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-3-6(8)4-7(5)2/h5-8H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (3S,5S)-1-methanidyl-5-methylpyrrolidin-1-ium-3-ol?
(3S,5S)-1-methanidyl-5-methylpyrrolidin-1-ium-3-ol has a molecular weight of 115.18 g/mol, XLogP of -1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-methanidyl-5-methylpyrrolidin-1-ium-3-ol is sourced from PubChem (CID 59130953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).