morpholin-4-yl-(5-nitrofuran-2-yl)methanone

C9H10N2O5 — CID 2796391

IUPACmorpholin-4-yl-(5-nitrofuran-2-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)N1CCOCC1
InChIInChI=1S/C9H10N2O5/c12-9(10-3-5-15-6-4-10)7-1-2-8(16-7)11(13)14/h1-2H,3-6H2
InChIKeyICWMNSOEVBHADK-UHFFFAOYSA-N
MW226.19 g/mol
LogP0.66
Rot. Bonds2

About morpholin-4-yl-(5-nitrofuran-2-yl)methanone

morpholin-4-yl-(5-nitrofuran-2-yl)methanone (PubChem CID 2796391) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is morpholin-4-yl-(5-nitrofuran-2-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(5-nitrofuran-2-yl)methanone
PubChem CID2796391
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Namemorpholin-4-yl-(5-nitrofuran-2-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)N1CCOCC1
InChIInChI=1S/C9H10N2O5/c12-9(10-3-5-15-6-4-10)7-1-2-8(16-7)11(13)14/h1-2H,3-6H2
InChIKeyICWMNSOEVBHADK-UHFFFAOYSA-N
XLogP0.66
TPSA85.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 morpholin-4-yl-(5-nitrofuran-2-yl)methanone?
The IUPAC name of morpholin-4-yl-(5-nitrofuran-2-yl)methanone (CID 2796391) is morpholin-4-yl-(5-nitrofuran-2-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(5-nitrofuran-2-yl)methanone?
The canonical SMILES for morpholin-4-yl-(5-nitrofuran-2-yl)methanone is O=C(c1ccc([N+](=O)[O-])o1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(5-nitrofuran-2-yl)methanone?
The InChIKey is ICWMNSOEVBHADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c12-9(10-3-5-15-6-4-10)7-1-2-8(16-7)11(13)14/h1-2H,3-6H2.
What are the key properties of morpholin-4-yl-(5-nitrofuran-2-yl)methanone?
morpholin-4-yl-(5-nitrofuran-2-yl)methanone has a molecular weight of 226.19 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(5-nitrofuran-2-yl)methanone is sourced from PubChem (CID 2796391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).