10-methyl-9-(nitromethyl)-9H-acridine

C15H14N2O2 — CID 24975170

IUPAC10-methyl-9-(nitromethyl)-9H-acridine
SMILESCN1c2ccccc2C(C[N+](=O)[O-])c2ccccc21
InChIInChI=1S/C15H14N2O2/c1-16-14-8-4-2-6-11(14)13(10-17(18)19)12-7-3-5-9-15(12)16/h2-9,13H,10H2,1H3
InChIKeyMSDGXPGSLSRTIL-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.18
Rot. Bonds2

About 10-methyl-9-(nitromethyl)-9H-acridine

10-methyl-9-(nitromethyl)-9H-acridine (PubChem CID 24975170) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 10-methyl-9-(nitromethyl)-9H-acridine.

Molecular Properties

Compound Name10-methyl-9-(nitromethyl)-9H-acridine
PubChem CID24975170
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name10-methyl-9-(nitromethyl)-9H-acridine
SMILESCN1c2ccccc2C(C[N+](=O)[O-])c2ccccc21
InChIInChI=1S/C15H14N2O2/c1-16-14-8-4-2-6-11(14)13(10-17(18)19)12-7-3-5-9-15(12)16/h2-9,13H,10H2,1H3
InChIKeyMSDGXPGSLSRTIL-UHFFFAOYSA-N
XLogP3.18
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 10-methyl-9-(nitromethyl)-9H-acridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-methyl-9-(nitromethyl)-9H-acridine?
The IUPAC name of 10-methyl-9-(nitromethyl)-9H-acridine (CID 24975170) is 10-methyl-9-(nitromethyl)-9H-acridine.
What is the SMILES notation for 10-methyl-9-(nitromethyl)-9H-acridine?
The canonical SMILES for 10-methyl-9-(nitromethyl)-9H-acridine is CN1c2ccccc2C(C[N+](=O)[O-])c2ccccc21.
What is the InChIKey of 10-methyl-9-(nitromethyl)-9H-acridine?
The InChIKey is MSDGXPGSLSRTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-16-14-8-4-2-6-11(14)13(10-17(18)19)12-7-3-5-9-15(12)16/h2-9,13H,10H2,1H3.
What are the key properties of 10-methyl-9-(nitromethyl)-9H-acridine?
10-methyl-9-(nitromethyl)-9H-acridine has a molecular weight of 254.29 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-9-(nitromethyl)-9H-acridine is sourced from PubChem (CID 24975170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).