CID 59654151

C11H11N2W- — CID 59654151

IUPAC—
SMILESCc1cn2[c-]ncc2c2c1CCC2.[W]
InChIInChI=1S/C11H11N2.W/c1-8-6-13-7-12-5-11(13)10-4-2-3-9(8)10;/h5-6H,2-4H2,1H3;/q-1;
InChIKeyWWIJARAQMZCLHV-UHFFFAOYSA-N
MW355.06 g/mol
LogP1.93
Rot. Bonds

About CID 59654151

CID 59654151 (PubChem CID 59654151) has the molecular formula C11H11N2W- and a molecular weight of 355.06 g/mol.

Molecular Properties

Compound NameCID 59654151
PubChem CID59654151
Molecular FormulaC11H11N2W-
Molecular Weight355.06 g/mol
Exact Mass355.04
IUPAC Name—
SMILESCc1cn2[c-]ncc2c2c1CCC2.[W]
InChIInChI=1S/C11H11N2.W/c1-8-6-13-7-12-5-11(13)10-4-2-3-9(8)10;/h5-6H,2-4H2,1H3;/q-1;
InChIKeyWWIJARAQMZCLHV-UHFFFAOYSA-N
XLogP1.93
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.06
LogP ≤ 51.93
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 59654151?
The IUPAC name of CID 59654151 (CID 59654151) is not available.
What is the SMILES notation for CID 59654151?
The canonical SMILES for CID 59654151 is Cc1cn2[c-]ncc2c2c1CCC2.[W].
What is the InChIKey of CID 59654151?
The InChIKey is WWIJARAQMZCLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2.W/c1-8-6-13-7-12-5-11(13)10-4-2-3-9(8)10;/h5-6H,2-4H2,1H3;/q-1;.
What are the key properties of CID 59654151?
CID 59654151 has a molecular weight of 355.06 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59654151 is sourced from PubChem (CID 59654151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).