CID 166114905

C8H11N2Rb — CID 166114905

IUPAC—
SMILESCC(C)C1=NC=[C-]CC=N1.[Rb+]
InChIInChI=1S/C8H11N2.Rb/c1-7(2)8-9-5-3-4-6-10-8;/h5-7H,3H2,1-2H3;/q-1;+1
InChIKeyJUINZPDDNNICMH-UHFFFAOYSA-N
MW220.66 g/mol
LogP-1.16
Rot. Bonds1

About CID 166114905

CID 166114905 (PubChem CID 166114905) has the molecular formula C8H11N2Rb and a molecular weight of 220.66 g/mol.

Molecular Properties

Compound NameCID 166114905
PubChem CID166114905
Molecular FormulaC8H11N2Rb
Molecular Weight220.66 g/mol
Exact Mass220.00
IUPAC Name—
SMILESCC(C)C1=NC=[C-]CC=N1.[Rb+]
InChIInChI=1S/C8H11N2.Rb/c1-7(2)8-9-5-3-4-6-10-8;/h5-7H,3H2,1-2H3;/q-1;+1
InChIKeyJUINZPDDNNICMH-UHFFFAOYSA-N
XLogP-1.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 166114905?
The IUPAC name of CID 166114905 (CID 166114905) is not available.
What is the SMILES notation for CID 166114905?
The canonical SMILES for CID 166114905 is CC(C)C1=NC=[C-]CC=N1.[Rb+].
What is the InChIKey of CID 166114905?
The InChIKey is JUINZPDDNNICMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N2.Rb/c1-7(2)8-9-5-3-4-6-10-8;/h5-7H,3H2,1-2H3;/q-1;+1.
What are the key properties of CID 166114905?
CID 166114905 has a molecular weight of 220.66 g/mol, XLogP of -1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166114905 is sourced from PubChem (CID 166114905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).