[(1R,2R)-2-hydroxycyclopentyl]imino-iminoazanium

C5H10N3O+ — CID 91185910

IUPAC[(1R,2R)-2-hydroxycyclopentyl]imino-iminoazanium
SMILESN=[N+]=N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C5H10N3O/c6-8-7-4-2-1-3-5(4)9/h4-6,9H,1-3H2/q+1/t4-,5-/m1/s1
InChIKeyLYLOVCVWMSOUIC-RFZPGFLSSA-N
MW128.15 g/mol
LogP0.45
Rot. Bonds1

About [(1R,2R)-2-hydroxycyclopentyl]imino-iminoazanium

[(1R,2R)-2-hydroxycyclopentyl]imino-iminoazanium (PubChem CID 91185910) has the molecular formula C5H10N3O+ and a molecular weight of 128.15 g/mol. Its IUPAC name is [(1R,2R)-2-hydroxycyclopentyl]imino-iminoazanium.

Molecular Properties

Compound Name[(1R,2R)-2-hydroxycyclopentyl]imino-iminoazanium
PubChem CID91185910
Molecular FormulaC5H10N3O+
Molecular Weight128.15 g/mol
Exact Mass128.08
IUPAC Name[(1R,2R)-2-hydroxycyclopentyl]imino-iminoazanium
SMILESN=[N+]=N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C5H10N3O/c6-8-7-4-2-1-3-5(4)9/h4-6,9H,1-3H2/q+1/t4-,5-/m1/s1
InChIKeyLYLOVCVWMSOUIC-RFZPGFLSSA-N
XLogP0.45
TPSA70.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-hydroxycyclopentyl]imino-iminoazanium?
The IUPAC name of [(1R,2R)-2-hydroxycyclopentyl]imino-iminoazanium (CID 91185910) is [(1R,2R)-2-hydroxycyclopentyl]imino-iminoazanium.
What is the SMILES notation for [(1R,2R)-2-hydroxycyclopentyl]imino-iminoazanium?
The canonical SMILES for [(1R,2R)-2-hydroxycyclopentyl]imino-iminoazanium is N=[N+]=N[C@@H]1CCC[C@H]1O.
What is the InChIKey of [(1R,2R)-2-hydroxycyclopentyl]imino-iminoazanium?
The InChIKey is LYLOVCVWMSOUIC-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H10N3O/c6-8-7-4-2-1-3-5(4)9/h4-6,9H,1-3H2/q+1/t4-,5-/m1/s1.
What are the key properties of [(1R,2R)-2-hydroxycyclopentyl]imino-iminoazanium?
[(1R,2R)-2-hydroxycyclopentyl]imino-iminoazanium has a molecular weight of 128.15 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-hydroxycyclopentyl]imino-iminoazanium is sourced from PubChem (CID 91185910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).