3-(2-methyl-5-nitrophenoxy)azetidine

C10H12N2O3 — CID 62785560

IUPAC3-(2-methyl-5-nitrophenoxy)azetidine
SMILESCc1ccc([N+](=O)[O-])cc1OC1CNC1
InChIInChI=1S/C10H12N2O3/c1-7-2-3-8(12(13)14)4-10(7)15-9-5-11-6-9/h2-4,9,11H,5-6H2,1H3
InChIKeyNVOMCRHMVBHFKS-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.25
Rot. Bonds3

About 3-(2-methyl-5-nitrophenoxy)azetidine

3-(2-methyl-5-nitrophenoxy)azetidine (PubChem CID 62785560) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-(2-methyl-5-nitrophenoxy)azetidine.

Molecular Properties

Compound Name3-(2-methyl-5-nitrophenoxy)azetidine
PubChem CID62785560
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name3-(2-methyl-5-nitrophenoxy)azetidine
SMILESCc1ccc([N+](=O)[O-])cc1OC1CNC1
InChIInChI=1S/C10H12N2O3/c1-7-2-3-8(12(13)14)4-10(7)15-9-5-11-6-9/h2-4,9,11H,5-6H2,1H3
InChIKeyNVOMCRHMVBHFKS-UHFFFAOYSA-N
XLogP1.25
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-methyl-5-nitrophenoxy)azetidine 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

3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine
CID 115556274
3-(5-fluoro-2-methylphenoxy)azetidine
CID 84657893
1-methyl-2-(2-methylphenoxy)-4-nitrobenzene
CID 141213326
(2S)-2-methyl-3-(2-methyl-4-nitrophenoxy)azetidine
CID 172578280
3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943559
3-(2-fluoro-4-nitrophenoxy)pyrrolidine
CID 62328282
2,2-diethyl-3-(2-methyl-5-nitrophenoxy)cyclobutan-1-ol
CID 66343737
2-ethoxy-3-(2-methyl-5-nitrophenoxy)cyclobutan-1-one
CID 104675169
2-cyclopropyloxy-1-ethyl-4-nitrobenzene
CID 59026367
3-(2-iodo-4-nitrophenoxy)piperidine
CID 66093717
2-(2-methyl-5-nitrophenoxy)acetonitrile
CID 60779222
8-methyl-3-(2-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane
CID 68944112

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5-nitrophenoxy)azetidine?
The IUPAC name of 3-(2-methyl-5-nitrophenoxy)azetidine (CID 62785560) is 3-(2-methyl-5-nitrophenoxy)azetidine.
What is the SMILES notation for 3-(2-methyl-5-nitrophenoxy)azetidine?
The canonical SMILES for 3-(2-methyl-5-nitrophenoxy)azetidine is Cc1ccc([N+](=O)[O-])cc1OC1CNC1.
What is the InChIKey of 3-(2-methyl-5-nitrophenoxy)azetidine?
The InChIKey is NVOMCRHMVBHFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7-2-3-8(12(13)14)4-10(7)15-9-5-11-6-9/h2-4,9,11H,5-6H2,1H3.
What are the key properties of 3-(2-methyl-5-nitrophenoxy)azetidine?
3-(2-methyl-5-nitrophenoxy)azetidine has a molecular weight of 208.22 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5-nitrophenoxy)azetidine is sourced from PubChem (CID 62785560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).