CID 159962191

C12H11NRb — CID 159962191

IUPAC—
SMILESNc1ccccc1-c1ccccc1.[Rb]
InChIInChI=1S/C12H11N.Rb/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9H,13H2;
InChIKeyODLZHTHAZOYJFN-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.56
Rot. Bonds1

About CID 159962191

CID 159962191 (PubChem CID 159962191) has the molecular formula C12H11NRb and a molecular weight of 254.70 g/mol.

Molecular Properties

Compound NameCID 159962191
PubChem CID159962191
Molecular FormulaC12H11NRb
Molecular Weight254.70 g/mol
Exact Mass254.00
IUPAC Name—
SMILESNc1ccccc1-c1ccccc1.[Rb]
InChIInChI=1S/C12H11N.Rb/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9H,13H2;
InChIKeyODLZHTHAZOYJFN-UHFFFAOYSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 159962191?
The IUPAC name of CID 159962191 (CID 159962191) is not available.
What is the SMILES notation for CID 159962191?
The canonical SMILES for CID 159962191 is Nc1ccccc1-c1ccccc1.[Rb].
What is the InChIKey of CID 159962191?
The InChIKey is ODLZHTHAZOYJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.Rb/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9H,13H2;.
What are the key properties of CID 159962191?
CID 159962191 has a molecular weight of 254.70 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159962191 is sourced from PubChem (CID 159962191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).