CID 155579850

C7H9N2Rb — CID 155579850

IUPAC—
SMILESCC1=N[C-](C)C=CC=N1.[Rb+]
InChIInChI=1S/C7H9N2.Rb/c1-6-4-3-5-8-7(2)9-6;/h3-5H,1-2H3;/q-1;+1
InChIKeyWQHRHEYACZAHTM-UHFFFAOYSA-N
MW206.63 g/mol
LogP-1.40
Rot. Bonds

About CID 155579850

CID 155579850 (PubChem CID 155579850) has the molecular formula C7H9N2Rb and a molecular weight of 206.63 g/mol.

Molecular Properties

Compound NameCID 155579850
PubChem CID155579850
Molecular FormulaC7H9N2Rb
Molecular Weight206.63 g/mol
Exact Mass205.99
IUPAC Name—
SMILESCC1=N[C-](C)C=CC=N1.[Rb+]
InChIInChI=1S/C7H9N2.Rb/c1-6-4-3-5-8-7(2)9-6;/h3-5H,1-2H3;/q-1;+1
InChIKeyWQHRHEYACZAHTM-UHFFFAOYSA-N
XLogP-1.40
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 5-1.40
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 155579850?
The IUPAC name of CID 155579850 (CID 155579850) is not available.
What is the SMILES notation for CID 155579850?
The canonical SMILES for CID 155579850 is CC1=N[C-](C)C=CC=N1.[Rb+].
What is the InChIKey of CID 155579850?
The InChIKey is WQHRHEYACZAHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2.Rb/c1-6-4-3-5-8-7(2)9-6;/h3-5H,1-2H3;/q-1;+1.
What are the key properties of CID 155579850?
CID 155579850 has a molecular weight of 206.63 g/mol, XLogP of -1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155579850 is sourced from PubChem (CID 155579850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).