2-morpholin-4-yl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide

C11H14N4O5 — CID 5344250

IUPAC2-morpholin-4-yl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
SMILESO=C(CN1CCOCC1)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H14N4O5/c16-10(8-14-3-5-19-6-4-14)13-12-7-9-1-2-11(20-9)15(17)18/h1-2,7H,3-6,8H2,(H,13,16)/b12-7+
InChIKeyVMDOZZHWILGPKU-KPKJPENVSA-N
MW282.26 g/mol
LogP-0.03
Rot. Bonds5

About 2-morpholin-4-yl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide

2-morpholin-4-yl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide (PubChem CID 5344250) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
PubChem CID5344250
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name2-morpholin-4-yl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
SMILESO=C(CN1CCOCC1)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H14N4O5/c16-10(8-14-3-5-19-6-4-14)13-12-7-9-1-2-11(20-9)15(17)18/h1-2,7H,3-6,8H2,(H,13,16)/b12-7+
InChIKeyVMDOZZHWILGPKU-KPKJPENVSA-N
XLogP-0.03
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-morpholin-4-yl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide 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 2-morpholin-4-yl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide (CID 5344250) is 2-morpholin-4-yl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide is O=C(CN1CCOCC1)N/N=C/c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-morpholin-4-yl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
The InChIKey is VMDOZZHWILGPKU-KPKJPENVSA-N. The full InChI is InChI=1S/C11H14N4O5/c16-10(8-14-3-5-19-6-4-14)13-12-7-9-1-2-11(20-9)15(17)18/h1-2,7H,3-6,8H2,(H,13,16)/b12-7+.
What are the key properties of 2-morpholin-4-yl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
2-morpholin-4-yl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide has a molecular weight of 282.26 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 5344250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).