benzo[h]cinnolin-2-ium

C12H9N2+ — CID 173179185

IUPACbenzo[h]cinnolin-2-ium
SMILESc1ccc2c(c1)ccc1cc[nH+]nc12
InChIInChI=1S/C12H8N2/c1-2-4-11-9(3-1)5-6-10-7-8-13-14-12(10)11/h1-8H/p+1
InChIKeyDMMLYDCVMZEUMT-UHFFFAOYSA-O
MW181.22 g/mol
LogP2.20
Rot. Bonds

About benzo[h]cinnolin-2-ium

benzo[h]cinnolin-2-ium (PubChem CID 173179185) has the molecular formula C12H9N2+ and a molecular weight of 181.22 g/mol. Its IUPAC name is benzo[h]cinnolin-2-ium.

Molecular Properties

Compound Namebenzo[h]cinnolin-2-ium
PubChem CID173179185
Molecular FormulaC12H9N2+
Molecular Weight181.22 g/mol
Exact Mass181.08
IUPAC Namebenzo[h]cinnolin-2-ium
SMILESc1ccc2c(c1)ccc1cc[nH+]nc12
InChIInChI=1S/C12H8N2/c1-2-4-11-9(3-1)5-6-10-7-8-13-14-12(10)11/h1-8H/p+1
InChIKeyDMMLYDCVMZEUMT-UHFFFAOYSA-O
XLogP2.20
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[h]cinnolin-2-ium?
The IUPAC name of benzo[h]cinnolin-2-ium (CID 173179185) is benzo[h]cinnolin-2-ium.
What is the SMILES notation for benzo[h]cinnolin-2-ium?
The canonical SMILES for benzo[h]cinnolin-2-ium is c1ccc2c(c1)ccc1cc[nH+]nc12.
What is the InChIKey of benzo[h]cinnolin-2-ium?
The InChIKey is DMMLYDCVMZEUMT-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H8N2/c1-2-4-11-9(3-1)5-6-10-7-8-13-14-12(10)11/h1-8H/p+1.
What are the key properties of benzo[h]cinnolin-2-ium?
benzo[h]cinnolin-2-ium has a molecular weight of 181.22 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[h]cinnolin-2-ium is sourced from PubChem (CID 173179185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).