[(1S,2S,3R)-3-hydroxy-2-methylcyclopentyl]-trimethylazanium chloride

C9H20ClNO — CID 139036685

IUPAC[(1S,2S,3R)-3-hydroxy-2-methylcyclopentyl]-trimethylazanium chloride
SMILESC[C@@H]1[C@H](O)CC[C@@H]1[N+](C)(C)C.[Cl-]
InChIInChI=1S/C9H20NO.ClH/c1-7-8(10(2,3)4)5-6-9(7)11;/h7-9,11H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8-,9+;/m0./s1
InChIKeyXDKHOHIUHMUKBT-CTERPIQNSA-M
MW193.72 g/mol
LogP-2.14
Rot. Bonds1

About [(1S,2S,3R)-3-hydroxy-2-methylcyclopentyl]-trimethylazanium chloride

[(1S,2S,3R)-3-hydroxy-2-methylcyclopentyl]-trimethylazanium chloride (PubChem CID 139036685) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is [(1S,2S,3R)-3-hydroxy-2-methylcyclopentyl]-trimethylazanium chloride.

Molecular Properties

Compound Name[(1S,2S,3R)-3-hydroxy-2-methylcyclopentyl]-trimethylazanium chloride
PubChem CID139036685
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name[(1S,2S,3R)-3-hydroxy-2-methylcyclopentyl]-trimethylazanium chloride
SMILESC[C@@H]1[C@H](O)CC[C@@H]1[N+](C)(C)C.[Cl-]
InChIInChI=1S/C9H20NO.ClH/c1-7-8(10(2,3)4)5-6-9(7)11;/h7-9,11H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8-,9+;/m0./s1
InChIKeyXDKHOHIUHMUKBT-CTERPIQNSA-M
XLogP-2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 5-2.14
H-Bond Donors ≤ 51
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 [(1S,2S,3R)-3-hydroxy-2-methylcyclopentyl]-trimethylazanium chloride?
The IUPAC name of [(1S,2S,3R)-3-hydroxy-2-methylcyclopentyl]-trimethylazanium chloride (CID 139036685) is [(1S,2S,3R)-3-hydroxy-2-methylcyclopentyl]-trimethylazanium chloride.
What is the SMILES notation for [(1S,2S,3R)-3-hydroxy-2-methylcyclopentyl]-trimethylazanium chloride?
The canonical SMILES for [(1S,2S,3R)-3-hydroxy-2-methylcyclopentyl]-trimethylazanium chloride is C[C@@H]1[C@H](O)CC[C@@H]1[N+](C)(C)C.[Cl-].
What is the InChIKey of [(1S,2S,3R)-3-hydroxy-2-methylcyclopentyl]-trimethylazanium chloride?
The InChIKey is XDKHOHIUHMUKBT-CTERPIQNSA-M. The full InChI is InChI=1S/C9H20NO.ClH/c1-7-8(10(2,3)4)5-6-9(7)11;/h7-9,11H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8-,9+;/m0./s1.
What are the key properties of [(1S,2S,3R)-3-hydroxy-2-methylcyclopentyl]-trimethylazanium chloride?
[(1S,2S,3R)-3-hydroxy-2-methylcyclopentyl]-trimethylazanium chloride has a molecular weight of 193.72 g/mol, XLogP of -2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R)-3-hydroxy-2-methylcyclopentyl]-trimethylazanium chloride is sourced from PubChem (CID 139036685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).