4-methyl-2-(4-nitrophenyl)morpholine;hydrochloride

C11H15ClN2O3 — CID 12514752

IUPAC4-methyl-2-(4-nitrophenyl)morpholine;hydrochloride
SMILESCN1CCOC(c2ccc([N+](=O)[O-])cc2)C1.Cl
InChIInChI=1S/C11H14N2O3.ClH/c1-12-6-7-16-11(8-12)9-2-4-10(5-3-9)13(14)15;/h2-5,11H,6-8H2,1H3;1H
InChIKeyOCFGWLPLJXWFRM-UHFFFAOYSA-N
MW258.70 g/mol
LogP2.02
Rot. Bonds2

About 4-methyl-2-(4-nitrophenyl)morpholine;hydrochloride

4-methyl-2-(4-nitrophenyl)morpholine;hydrochloride (PubChem CID 12514752) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 4-methyl-2-(4-nitrophenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-(4-nitrophenyl)morpholine;hydrochloride
PubChem CID12514752
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name4-methyl-2-(4-nitrophenyl)morpholine;hydrochloride
SMILESCN1CCOC(c2ccc([N+](=O)[O-])cc2)C1.Cl
InChIInChI=1S/C11H14N2O3.ClH/c1-12-6-7-16-11(8-12)9-2-4-10(5-3-9)13(14)15;/h2-5,11H,6-8H2,1H3;1H
InChIKeyOCFGWLPLJXWFRM-UHFFFAOYSA-N
XLogP2.02
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 52.02
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-nitrophenyl)morpholine;hydrochloride?
The IUPAC name of 4-methyl-2-(4-nitrophenyl)morpholine;hydrochloride (CID 12514752) is 4-methyl-2-(4-nitrophenyl)morpholine;hydrochloride.
What is the SMILES notation for 4-methyl-2-(4-nitrophenyl)morpholine;hydrochloride?
The canonical SMILES for 4-methyl-2-(4-nitrophenyl)morpholine;hydrochloride is CN1CCOC(c2ccc([N+](=O)[O-])cc2)C1.Cl.
What is the InChIKey of 4-methyl-2-(4-nitrophenyl)morpholine;hydrochloride?
The InChIKey is OCFGWLPLJXWFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3.ClH/c1-12-6-7-16-11(8-12)9-2-4-10(5-3-9)13(14)15;/h2-5,11H,6-8H2,1H3;1H.
What are the key properties of 4-methyl-2-(4-nitrophenyl)morpholine;hydrochloride?
4-methyl-2-(4-nitrophenyl)morpholine;hydrochloride has a molecular weight of 258.70 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-nitrophenyl)morpholine;hydrochloride is sourced from PubChem (CID 12514752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).