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

C12H15N3O4 — CID 6875630

IUPACN-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)C1CCCCC1
InChIInChI=1S/C12H15N3O4/c16-12(9-4-2-1-3-5-9)14-13-8-10-6-7-11(19-10)15(17)18/h6-9H,1-5H2,(H,14,16)/b13-8+
InChIKeyADQLSTKWWHWFMA-MDWZMJQESA-N
MW265.27 g/mol
LogP2.22
Rot. Bonds4

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

N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide (PubChem CID 6875630) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide
PubChem CID6875630
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)C1CCCCC1
InChIInChI=1S/C12H15N3O4/c16-12(9-4-2-1-3-5-9)14-13-8-10-6-7-11(19-10)15(17)18/h6-9H,1-5H2,(H,14,16)/b13-8+
InChIKeyADQLSTKWWHWFMA-MDWZMJQESA-N
XLogP2.22
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.22
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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Related Compounds

1-[(1S,2S)-2-methylcyclohexyl]-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea
CID 9122056
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide
CID 6444719
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide
CID 871912
(3E)-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]-3-(pyridin-4-ylmethylidene)urea
CID 10452903
(5R,7S)-3-cyclopentyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]adamantane-1-carboxamide
CID 177490719
N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]cyclohexanecarboxamide
CID 9150506
N-[(5-nitrofuran-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 3732864
tert-butyl N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6036448
1-(4-methylphenyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea
CID 5418895

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide (CID 6875630) is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide is O=C(N/N=C/c1ccc([N+](=O)[O-])o1)C1CCCCC1.
What is the InChIKey of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide?
The InChIKey is ADQLSTKWWHWFMA-MDWZMJQESA-N. The full InChI is InChI=1S/C12H15N3O4/c16-12(9-4-2-1-3-5-9)14-13-8-10-6-7-11(19-10)15(17)18/h6-9H,1-5H2,(H,14,16)/b13-8+.
What are the key properties of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide?
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide has a molecular weight of 265.27 g/mol, XLogP of 2.22, 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]cyclohexanecarboxamide is sourced from PubChem (CID 6875630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).