carbanide;nitrocyclopentane;yttrium

C6H11NO2Y-2 — CID 164705758

IUPACcarbanide;nitrocyclopentane;yttrium
SMILESO=[N+]([O-])C1[CH-]CCC1.[CH3-].[Y]
InChIInChI=1S/C5H8NO2.CH3.Y/c7-6(8)5-3-1-2-4-5;;/h3,5H,1-2,4H2;1H3;/q2*-1;
InChIKeyOJFXZGWLKYDZBV-UHFFFAOYSA-N
MW218.06 g/mol
LogP1.47
Rot. Bonds1

About carbanide;nitrocyclopentane;yttrium

carbanide;nitrocyclopentane;yttrium (PubChem CID 164705758) has the molecular formula C6H11NO2Y-2 and a molecular weight of 218.06 g/mol. Its IUPAC name is carbanide;nitrocyclopentane;yttrium.

Molecular Properties

Compound Namecarbanide;nitrocyclopentane;yttrium
PubChem CID164705758
Molecular FormulaC6H11NO2Y-2
Molecular Weight218.06 g/mol
Exact Mass217.99
IUPAC Namecarbanide;nitrocyclopentane;yttrium
SMILESO=[N+]([O-])C1[CH-]CCC1.[CH3-].[Y]
InChIInChI=1S/C5H8NO2.CH3.Y/c7-6(8)5-3-1-2-4-5;;/h3,5H,1-2,4H2;1H3;/q2*-1;
InChIKeyOJFXZGWLKYDZBV-UHFFFAOYSA-N
XLogP1.47
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.06
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;nitrocyclopentane;yttrium?
The IUPAC name of carbanide;nitrocyclopentane;yttrium (CID 164705758) is carbanide;nitrocyclopentane;yttrium.
What is the SMILES notation for carbanide;nitrocyclopentane;yttrium?
The canonical SMILES for carbanide;nitrocyclopentane;yttrium is O=[N+]([O-])C1[CH-]CCC1.[CH3-].[Y].
What is the InChIKey of carbanide;nitrocyclopentane;yttrium?
The InChIKey is OJFXZGWLKYDZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NO2.CH3.Y/c7-6(8)5-3-1-2-4-5;;/h3,5H,1-2,4H2;1H3;/q2*-1;.
What are the key properties of carbanide;nitrocyclopentane;yttrium?
carbanide;nitrocyclopentane;yttrium has a molecular weight of 218.06 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;nitrocyclopentane;yttrium is sourced from PubChem (CID 164705758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).