10-methylacridin-10-ium

C14H12N+ — CID 22000

IUPAC10-methylacridin-10-ium
SMILESC[n+]1c2ccccc2cc2ccccc21
InChIInChI=1S/C14H12N/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3/q+1
InChIKeyGXYLXFITCXXCQV-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.82
Rot. Bonds

About 10-methylacridin-10-ium

10-methylacridin-10-ium (PubChem CID 22000) has the molecular formula C14H12N+ and a molecular weight of 194.26 g/mol. Its IUPAC name is 10-methylacridin-10-ium.

Molecular Properties

Compound Name10-methylacridin-10-ium
PubChem CID22000
Molecular FormulaC14H12N+
Molecular Weight194.26 g/mol
Exact Mass194.10
IUPAC Name10-methylacridin-10-ium
SMILESC[n+]1c2ccccc2cc2ccccc21
InChIInChI=1S/C14H12N/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3/q+1
InChIKeyGXYLXFITCXXCQV-UHFFFAOYSA-N
XLogP2.82
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methylacridin-10-ium?
The IUPAC name of 10-methylacridin-10-ium (CID 22000) is 10-methylacridin-10-ium.
What is the SMILES notation for 10-methylacridin-10-ium?
The canonical SMILES for 10-methylacridin-10-ium is C[n+]1c2ccccc2cc2ccccc21.
What is the InChIKey of 10-methylacridin-10-ium?
The InChIKey is GXYLXFITCXXCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3/q+1.
What are the key properties of 10-methylacridin-10-ium?
10-methylacridin-10-ium has a molecular weight of 194.26 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylacridin-10-ium is sourced from PubChem (CID 22000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).