N-(furan-2-ylmethylideneamino)furan-2-carboxamide

C10H8N2O3 — CID 668436

IUPACN-(furan-2-ylmethylideneamino)furan-2-carboxamide
SMILESO=C(NN=Cc1ccco1)c1ccco1
InChIInChI=1S/C10H8N2O3/c13-10(9-4-2-6-15-9)12-11-7-8-3-1-5-14-8/h1-7H,(H,12,13)
InChIKeyKWEJBGUDJIFYQL-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.64
Rot. Bonds3

About N-(furan-2-ylmethylideneamino)furan-2-carboxamide

N-(furan-2-ylmethylideneamino)furan-2-carboxamide (PubChem CID 668436) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)furan-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)furan-2-carboxamide
PubChem CID668436
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC NameN-(furan-2-ylmethylideneamino)furan-2-carboxamide
SMILESO=C(NN=Cc1ccco1)c1ccco1
InChIInChI=1S/C10H8N2O3/c13-10(9-4-2-6-15-9)12-11-7-8-3-1-5-14-8/h1-7H,(H,12,13)
InChIKeyKWEJBGUDJIFYQL-UHFFFAOYSA-N
XLogP1.64
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-ylmethylideneamino)furan-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)furan-2-carboxamide (CID 668436) is N-(furan-2-ylmethylideneamino)furan-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)furan-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)furan-2-carboxamide is O=C(NN=Cc1ccco1)c1ccco1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)furan-2-carboxamide?
The InChIKey is KWEJBGUDJIFYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-10(9-4-2-6-15-9)12-11-7-8-3-1-5-14-8/h1-7H,(H,12,13).
What are the key properties of N-(furan-2-ylmethylideneamino)furan-2-carboxamide?
N-(furan-2-ylmethylideneamino)furan-2-carboxamide has a molecular weight of 204.19 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)furan-2-carboxamide is sourced from PubChem (CID 668436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).