N-cyclohexyl-5-nitrofuran-2-carboxamide

C11H14N2O4 — CID 840339

IUPACN-cyclohexyl-5-nitrofuran-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H14N2O4/c14-11(12-8-4-2-1-3-5-8)9-6-7-10(17-9)13(15)16/h6-8H,1-5H2,(H,12,14)
InChIKeyHDJQCPXCTJSUPW-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.25
Rot. Bonds3

About N-cyclohexyl-5-nitrofuran-2-carboxamide

N-cyclohexyl-5-nitrofuran-2-carboxamide (PubChem CID 840339) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-cyclohexyl-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-nitrofuran-2-carboxamide
PubChem CID840339
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-cyclohexyl-5-nitrofuran-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H14N2O4/c14-11(12-8-4-2-1-3-5-8)9-6-7-10(17-9)13(15)16/h6-8H,1-5H2,(H,12,14)
InChIKeyHDJQCPXCTJSUPW-UHFFFAOYSA-N
XLogP2.25
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-cyclohexyl-5-nitrofuran-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-nitrofuran-2-carboxamide (CID 840339) is N-cyclohexyl-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-nitrofuran-2-carboxamide is O=C(NC1CCCCC1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-cyclohexyl-5-nitrofuran-2-carboxamide?
The InChIKey is HDJQCPXCTJSUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-11(12-8-4-2-1-3-5-8)9-6-7-10(17-9)13(15)16/h6-8H,1-5H2,(H,12,14).
What are the key properties of N-cyclohexyl-5-nitrofuran-2-carboxamide?
N-cyclohexyl-5-nitrofuran-2-carboxamide has a molecular weight of 238.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 840339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).