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

C11H13N3O4 — CID 25237242

IUPACN-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclopentanecarboxamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)C1CCCC1
InChIInChI=1S/C11H13N3O4/c15-11(8-3-1-2-4-8)13-12-7-9-5-6-10(18-9)14(16)17/h5-8H,1-4H2,(H,13,15)/b12-7+
InChIKeyNGWMCIYRGKZDTH-KPKJPENVSA-N
MW251.24 g/mol
LogP1.83
Rot. Bonds4

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

N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclopentanecarboxamide (PubChem CID 25237242) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclopentanecarboxamide
PubChem CID25237242
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclopentanecarboxamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)C1CCCC1
InChIInChI=1S/C11H13N3O4/c15-11(8-3-1-2-4-8)13-12-7-9-5-6-10(18-9)14(16)17/h5-8H,1-4H2,(H,13,15)/b12-7+
InChIKeyNGWMCIYRGKZDTH-KPKJPENVSA-N
XLogP1.83
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclopentanecarboxamide (CID 25237242) is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclopentanecarboxamide is O=C(N/N=C/c1ccc([N+](=O)[O-])o1)C1CCCC1.
What is the InChIKey of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclopentanecarboxamide?
The InChIKey is NGWMCIYRGKZDTH-KPKJPENVSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-11(8-3-1-2-4-8)13-12-7-9-5-6-10(18-9)14(16)17/h5-8H,1-4H2,(H,13,15)/b12-7+.
What are the key properties of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclopentanecarboxamide?
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclopentanecarboxamide has a molecular weight of 251.24 g/mol, XLogP of 1.83, 4 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]cyclopentanecarboxamide is sourced from PubChem (CID 25237242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).