N-[(E)-(5-nitrofuran-2-yl)methylideneamino]hexanamide

C11H15N3O4 — CID 5332109

IUPACN-[(E)-(5-nitrofuran-2-yl)methylideneamino]hexanamide
SMILESCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H15N3O4/c1-2-3-4-5-10(15)13-12-8-9-6-7-11(18-9)14(16)17/h6-8H,2-5H2,1H3,(H,13,15)/b12-8+
InChIKeyYTNRXSKHWJUPPW-XYOKQWHBSA-N
MW253.26 g/mol
LogP2.22
Rot. Bonds7

About N-[(E)-(5-nitrofuran-2-yl)methylideneamino]hexanamide

N-[(E)-(5-nitrofuran-2-yl)methylideneamino]hexanamide (PubChem CID 5332109) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]hexanamide.

Molecular Properties

Compound NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]hexanamide
PubChem CID5332109
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]hexanamide
SMILESCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H15N3O4/c1-2-3-4-5-10(15)13-12-8-9-6-7-11(18-9)14(16)17/h6-8H,2-5H2,1H3,(H,13,15)/b12-8+
InChIKeyYTNRXSKHWJUPPW-XYOKQWHBSA-N
XLogP2.22
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 N-[(E)-(5-nitrofuran-2-yl)methylideneamino]hexanamide?
The IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]hexanamide (CID 5332109) is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]hexanamide.
What is the SMILES notation for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]hexanamide?
The canonical SMILES for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]hexanamide is CCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]hexanamide?
The InChIKey is YTNRXSKHWJUPPW-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-3-4-5-10(15)13-12-8-9-6-7-11(18-9)14(16)17/h6-8H,2-5H2,1H3,(H,13,15)/b12-8+.
What are the key properties of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]hexanamide?
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]hexanamide has a molecular weight of 253.26 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]hexanamide is sourced from PubChem (CID 5332109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).