CID 90971559

C10H8N+ — CID 90971559

IUPAC—
SMILES[C+]1=NC=c2ccccc2=CC1
InChIInChI=1S/C10H8N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-2,4-6,8H,3H2/q+1
InChIKeyKVORQEZDGVUPNT-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.56
Rot. Bonds

About CID 90971559

CID 90971559 (PubChem CID 90971559) has the molecular formula C10H8N+ and a molecular weight of 142.18 g/mol.

Molecular Properties

Compound NameCID 90971559
PubChem CID90971559
Molecular FormulaC10H8N+
Molecular Weight142.18 g/mol
Exact Mass142.07
IUPAC Name—
SMILES[C+]1=NC=c2ccccc2=CC1
InChIInChI=1S/C10H8N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-2,4-6,8H,3H2/q+1
InChIKeyKVORQEZDGVUPNT-UHFFFAOYSA-N
XLogP0.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 90971559?
The IUPAC name of CID 90971559 (CID 90971559) is not available.
What is the SMILES notation for CID 90971559?
The canonical SMILES for CID 90971559 is [C+]1=NC=c2ccccc2=CC1.
What is the InChIKey of CID 90971559?
The InChIKey is KVORQEZDGVUPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-2,4-6,8H,3H2/q+1.
What are the key properties of CID 90971559?
CID 90971559 has a molecular weight of 142.18 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90971559 is sourced from PubChem (CID 90971559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).