4-methyl-2-nitromorpholine

C5H10N2O3 — CID 123348988

IUPAC4-methyl-2-nitromorpholine
SMILESCN1CCOC([N+](=O)[O-])C1
InChIInChI=1S/C5H10N2O3/c1-6-2-3-10-5(4-6)7(8)9/h5H,2-4H2,1H3
InChIKeyZHWWMYMHEMCFPF-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.45
Rot. Bonds1

About 4-methyl-2-nitromorpholine

4-methyl-2-nitromorpholine (PubChem CID 123348988) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 4-methyl-2-nitromorpholine.

Molecular Properties

Compound Name4-methyl-2-nitromorpholine
PubChem CID123348988
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name4-methyl-2-nitromorpholine
SMILESCN1CCOC([N+](=O)[O-])C1
InChIInChI=1S/C5H10N2O3/c1-6-2-3-10-5(4-6)7(8)9/h5H,2-4H2,1H3
InChIKeyZHWWMYMHEMCFPF-UHFFFAOYSA-N
XLogP-0.45
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
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 4-methyl-2-nitromorpholine 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 4-methyl-2-nitromorpholine?
The IUPAC name of 4-methyl-2-nitromorpholine (CID 123348988) is 4-methyl-2-nitromorpholine.
What is the SMILES notation for 4-methyl-2-nitromorpholine?
The canonical SMILES for 4-methyl-2-nitromorpholine is CN1CCOC([N+](=O)[O-])C1.
What is the InChIKey of 4-methyl-2-nitromorpholine?
The InChIKey is ZHWWMYMHEMCFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-6-2-3-10-5(4-6)7(8)9/h5H,2-4H2,1H3.
What are the key properties of 4-methyl-2-nitromorpholine?
4-methyl-2-nitromorpholine has a molecular weight of 146.15 g/mol, XLogP of -0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-nitromorpholine is sourced from PubChem (CID 123348988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).