[(1S,3S)-3-hydroxycyclopentyl]methyl-trimethylazanium iodide

C9H20INO — CID 118719160

IUPAC[(1S,3S)-3-hydroxycyclopentyl]methyl-trimethylazanium iodide
SMILESC[N+](C)(C)C[C@H]1CC[C@H](O)C1.[I-]
InChIInChI=1S/C9H20NO.HI/c1-10(2,3)7-8-4-5-9(11)6-8;/h8-9,11H,4-7H2,1-3H3;1H/q+1;/p-1/t8-,9-;/m0./s1
InChIKeyVUGQDBCLJPWNTR-OZZZDHQUSA-M
MW285.17 g/mol
LogP-2.14
Rot. Bonds2

About [(1S,3S)-3-hydroxycyclopentyl]methyl-trimethylazanium iodide

[(1S,3S)-3-hydroxycyclopentyl]methyl-trimethylazanium iodide (PubChem CID 118719160) has the molecular formula C9H20INO and a molecular weight of 285.17 g/mol. Its IUPAC name is [(1S,3S)-3-hydroxycyclopentyl]methyl-trimethylazanium iodide.

Molecular Properties

Compound Name[(1S,3S)-3-hydroxycyclopentyl]methyl-trimethylazanium iodide
PubChem CID118719160
Molecular FormulaC9H20INO
Molecular Weight285.17 g/mol
Exact Mass285.06
IUPAC Name[(1S,3S)-3-hydroxycyclopentyl]methyl-trimethylazanium iodide
SMILESC[N+](C)(C)C[C@H]1CC[C@H](O)C1.[I-]
InChIInChI=1S/C9H20NO.HI/c1-10(2,3)7-8-4-5-9(11)6-8;/h8-9,11H,4-7H2,1-3H3;1H/q+1;/p-1/t8-,9-;/m0./s1
InChIKeyVUGQDBCLJPWNTR-OZZZDHQUSA-M
XLogP-2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 5-2.14
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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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-hydroxycyclopentyl]methyl-trimethylazanium iodide?
The IUPAC name of [(1S,3S)-3-hydroxycyclopentyl]methyl-trimethylazanium iodide (CID 118719160) is [(1S,3S)-3-hydroxycyclopentyl]methyl-trimethylazanium iodide.
What is the SMILES notation for [(1S,3S)-3-hydroxycyclopentyl]methyl-trimethylazanium iodide?
The canonical SMILES for [(1S,3S)-3-hydroxycyclopentyl]methyl-trimethylazanium iodide is C[N+](C)(C)C[C@H]1CC[C@H](O)C1.[I-].
What is the InChIKey of [(1S,3S)-3-hydroxycyclopentyl]methyl-trimethylazanium iodide?
The InChIKey is VUGQDBCLJPWNTR-OZZZDHQUSA-M. The full InChI is InChI=1S/C9H20NO.HI/c1-10(2,3)7-8-4-5-9(11)6-8;/h8-9,11H,4-7H2,1-3H3;1H/q+1;/p-1/t8-,9-;/m0./s1.
What are the key properties of [(1S,3S)-3-hydroxycyclopentyl]methyl-trimethylazanium iodide?
[(1S,3S)-3-hydroxycyclopentyl]methyl-trimethylazanium iodide has a molecular weight of 285.17 g/mol, XLogP of -2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-hydroxycyclopentyl]methyl-trimethylazanium iodide is sourced from PubChem (CID 118719160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).