2-(3-nitrophenyl)-4-propylmorpholine

C13H18N2O3 — CID 15006485

IUPAC2-(3-nitrophenyl)-4-propylmorpholine
SMILESCCCN1CCOC(c2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C13H18N2O3/c1-2-6-14-7-8-18-13(10-14)11-4-3-5-12(9-11)15(16)17/h3-5,9,13H,2,6-8,10H2,1H3
InChIKeyLKLACERJZVBVMD-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.38
Rot. Bonds4

About 2-(3-nitrophenyl)-4-propylmorpholine

2-(3-nitrophenyl)-4-propylmorpholine (PubChem CID 15006485) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-4-propylmorpholine.

Molecular Properties

Compound Name2-(3-nitrophenyl)-4-propylmorpholine
PubChem CID15006485
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(3-nitrophenyl)-4-propylmorpholine
SMILESCCCN1CCOC(c2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C13H18N2O3/c1-2-6-14-7-8-18-13(10-14)11-4-3-5-12(9-11)15(16)17/h3-5,9,13H,2,6-8,10H2,1H3
InChIKeyLKLACERJZVBVMD-UHFFFAOYSA-N
XLogP2.38
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.38
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 2-(3-nitrophenyl)-4-propylmorpholine?
The IUPAC name of 2-(3-nitrophenyl)-4-propylmorpholine (CID 15006485) is 2-(3-nitrophenyl)-4-propylmorpholine.
What is the SMILES notation for 2-(3-nitrophenyl)-4-propylmorpholine?
The canonical SMILES for 2-(3-nitrophenyl)-4-propylmorpholine is CCCN1CCOC(c2cccc([N+](=O)[O-])c2)C1.
What is the InChIKey of 2-(3-nitrophenyl)-4-propylmorpholine?
The InChIKey is LKLACERJZVBVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-6-14-7-8-18-13(10-14)11-4-3-5-12(9-11)15(16)17/h3-5,9,13H,2,6-8,10H2,1H3.
What are the key properties of 2-(3-nitrophenyl)-4-propylmorpholine?
2-(3-nitrophenyl)-4-propylmorpholine has a molecular weight of 250.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-4-propylmorpholine is sourced from PubChem (CID 15006485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).