N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide

C10H8N2O5 — CID 694001

IUPACN-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H8N2O5/c13-10(11-6-7-2-1-5-16-7)8-3-4-9(17-8)12(14)15/h1-5H,6H2,(H,11,13)
InChIKeyZGMGSSRLZJYOKH-UHFFFAOYSA-N
MW236.18 g/mol
LogP1.71
Rot. Bonds4

About N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide

N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide (PubChem CID 694001) has the molecular formula C10H8N2O5 and a molecular weight of 236.18 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide
PubChem CID694001
Molecular FormulaC10H8N2O5
Molecular Weight236.18 g/mol
Exact Mass236.04
IUPAC NameN-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H8N2O5/c13-10(11-6-7-2-1-5-16-7)8-3-4-9(17-8)12(14)15/h1-5H,6H2,(H,11,13)
InChIKeyZGMGSSRLZJYOKH-UHFFFAOYSA-N
XLogP1.71
TPSA98.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide (CID 694001) is N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide is O=C(NCc1ccco1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide?
The InChIKey is ZGMGSSRLZJYOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O5/c13-10(11-6-7-2-1-5-16-7)8-3-4-9(17-8)12(14)15/h1-5H,6H2,(H,11,13).
What are the key properties of N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide?
N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide has a molecular weight of 236.18 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 694001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).