2-(4-nitrophenyl)morpholine;hydrochloride

C10H13ClN2O3 — CID 12514750

IUPAC2-(4-nitrophenyl)morpholine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(C2CNCCO2)cc1
InChIInChI=1S/C10H12N2O3.ClH/c13-12(14)9-3-1-8(2-4-9)10-7-11-5-6-15-10;/h1-4,10-11H,5-7H2;1H
InChIKeyCSLIOFTTYSPSHT-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.68
Rot. Bonds2

About 2-(4-nitrophenyl)morpholine;hydrochloride

2-(4-nitrophenyl)morpholine;hydrochloride (PubChem CID 12514750) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-(4-nitrophenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name2-(4-nitrophenyl)morpholine;hydrochloride
PubChem CID12514750
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name2-(4-nitrophenyl)morpholine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(C2CNCCO2)cc1
InChIInChI=1S/C10H12N2O3.ClH/c13-12(14)9-3-1-8(2-4-9)10-7-11-5-6-15-10;/h1-4,10-11H,5-7H2;1H
InChIKeyCSLIOFTTYSPSHT-UHFFFAOYSA-N
XLogP1.68
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.68
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)morpholine;hydrochloride?
The IUPAC name of 2-(4-nitrophenyl)morpholine;hydrochloride (CID 12514750) is 2-(4-nitrophenyl)morpholine;hydrochloride.
What is the SMILES notation for 2-(4-nitrophenyl)morpholine;hydrochloride?
The canonical SMILES for 2-(4-nitrophenyl)morpholine;hydrochloride is Cl.O=[N+]([O-])c1ccc(C2CNCCO2)cc1.
What is the InChIKey of 2-(4-nitrophenyl)morpholine;hydrochloride?
The InChIKey is CSLIOFTTYSPSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3.ClH/c13-12(14)9-3-1-8(2-4-9)10-7-11-5-6-15-10;/h1-4,10-11H,5-7H2;1H.
What are the key properties of 2-(4-nitrophenyl)morpholine;hydrochloride?
2-(4-nitrophenyl)morpholine;hydrochloride has a molecular weight of 244.68 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)morpholine;hydrochloride is sourced from PubChem (CID 12514750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).