4-[(5-nitrofuran-2-yl)methyl]morpholine

C9H12N2O4 — CID 13197009

IUPAC4-[(5-nitrofuran-2-yl)methyl]morpholine
SMILESO=[N+]([O-])c1ccc(CN2CCOCC2)o1
InChIInChI=1S/C9H12N2O4/c12-11(13)9-2-1-8(15-9)7-10-3-5-14-6-4-10/h1-2H,3-7H2
InChIKeyIKBQLPBZEYFMHD-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.02
Rot. Bonds3

About 4-[(5-nitrofuran-2-yl)methyl]morpholine

4-[(5-nitrofuran-2-yl)methyl]morpholine (PubChem CID 13197009) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 4-[(5-nitrofuran-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-nitrofuran-2-yl)methyl]morpholine
PubChem CID13197009
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name4-[(5-nitrofuran-2-yl)methyl]morpholine
SMILESO=[N+]([O-])c1ccc(CN2CCOCC2)o1
InChIInChI=1S/C9H12N2O4/c12-11(13)9-2-1-8(15-9)7-10-3-5-14-6-4-10/h1-2H,3-7H2
InChIKeyIKBQLPBZEYFMHD-UHFFFAOYSA-N
XLogP1.02
TPSA68.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.02
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'}

Analyze 4-[(5-nitrofuran-2-yl)methyl]morpholine 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 4-[(5-nitrofuran-2-yl)methyl]morpholine?
The IUPAC name of 4-[(5-nitrofuran-2-yl)methyl]morpholine (CID 13197009) is 4-[(5-nitrofuran-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5-nitrofuran-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(5-nitrofuran-2-yl)methyl]morpholine is O=[N+]([O-])c1ccc(CN2CCOCC2)o1.
What is the InChIKey of 4-[(5-nitrofuran-2-yl)methyl]morpholine?
The InChIKey is IKBQLPBZEYFMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-11(13)9-2-1-8(15-9)7-10-3-5-14-6-4-10/h1-2H,3-7H2.
What are the key properties of 4-[(5-nitrofuran-2-yl)methyl]morpholine?
4-[(5-nitrofuran-2-yl)methyl]morpholine has a molecular weight of 212.20 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-nitrofuran-2-yl)methyl]morpholine is sourced from PubChem (CID 13197009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).