CID 102062819

C12H11N+ — CID 102062819

IUPAC—
SMILES[CH]1C=CC=C2C[n+]3ccccc3C12
InChIInChI=1S/C12H11N/c1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13/h1-8,11H,9H2/q+1
InChIKeySACQSBILMJRGPB-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.77
Rot. Bonds

About CID 102062819

CID 102062819 (PubChem CID 102062819) has the molecular formula C12H11N+ and a molecular weight of 169.23 g/mol.

Molecular Properties

Compound NameCID 102062819
PubChem CID102062819
Molecular FormulaC12H11N+
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name—
SMILES[CH]1C=CC=C2C[n+]3ccccc3C12
InChIInChI=1S/C12H11N/c1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13/h1-8,11H,9H2/q+1
InChIKeySACQSBILMJRGPB-UHFFFAOYSA-N
XLogP1.77
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102062819?
The IUPAC name of CID 102062819 (CID 102062819) is not available.
What is the SMILES notation for CID 102062819?
The canonical SMILES for CID 102062819 is [CH]1C=CC=C2C[n+]3ccccc3C12.
What is the InChIKey of CID 102062819?
The InChIKey is SACQSBILMJRGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13/h1-8,11H,9H2/q+1.
What are the key properties of CID 102062819?
CID 102062819 has a molecular weight of 169.23 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102062819 is sourced from PubChem (CID 102062819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).