1-methyl-5-nitroazonine

C9H10N2O2 — CID 144831844

IUPAC1-methyl-5-nitroazonine
SMILESCn1ccccc([N+](=O)[O-])ccc1
InChIInChI=1S/C9H10N2O2/c1-10-7-3-2-5-9(11(12)13)6-4-8-10/h2-8H,1H3/b5-2-,7-3-,8-4-,9-6+
InChIKeyYQNLOQOZDFCXJA-GZVKFSDKSA-N
MW178.19 g/mol
LogP2.06
Rot. Bonds1

About 1-methyl-5-nitroazonine

1-methyl-5-nitroazonine (PubChem CID 144831844) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-methyl-5-nitroazonine.

Molecular Properties

Compound Name1-methyl-5-nitroazonine
PubChem CID144831844
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-methyl-5-nitroazonine
SMILESCn1ccccc([N+](=O)[O-])ccc1
InChIInChI=1S/C9H10N2O2/c1-10-7-3-2-5-9(11(12)13)6-4-8-10/h2-8H,1H3/b5-2-,7-3-,8-4-,9-6+
InChIKeyYQNLOQOZDFCXJA-GZVKFSDKSA-N
XLogP2.06
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.06
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 1-methyl-5-nitroazonine with MolForge

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

Launch Full Analysis

Related Compounds

azane;nitrobenzene
CID 23197461
arsane;nitrobenzene
CID 174282180
benzene;iron;nitrobenzene
CID 174446919
calcium nitrobenzene
CID 67916702
azanium nitrobenzene
CID 22989049
iron(3+);nitrobenzene;trichloride
CID 70503336
magnesium;hydride;nitrobenzene
CID 173371093
iron;methane;nitrobenzene
CID 175081715
nitrobenzene;sulfanol
CID 174553859
carbonic acid;nitrobenzene
CID 68662598
carbonic acid;nitrobenzene
CID 158100196
carbon dioxide;nitrobenzene
CID 163592574

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-nitroazonine?
The IUPAC name of 1-methyl-5-nitroazonine (CID 144831844) is 1-methyl-5-nitroazonine.
What is the SMILES notation for 1-methyl-5-nitroazonine?
The canonical SMILES for 1-methyl-5-nitroazonine is Cn1ccccc([N+](=O)[O-])ccc1.
What is the InChIKey of 1-methyl-5-nitroazonine?
The InChIKey is YQNLOQOZDFCXJA-GZVKFSDKSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-10-7-3-2-5-9(11(12)13)6-4-8-10/h2-8H,1H3/b5-2-,7-3-,8-4-,9-6+.
What are the key properties of 1-methyl-5-nitroazonine?
1-methyl-5-nitroazonine has a molecular weight of 178.19 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-nitroazonine is sourced from PubChem (CID 144831844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).