furan-2-carbonyl furan-2-carboxylate;furan-2-ylmethanamine

C15H13NO6 — CID 175313204

IUPACfuran-2-carbonyl furan-2-carboxylate;furan-2-ylmethanamine
SMILESNCc1ccco1.O=C(OC(=O)c1ccco1)c1ccco1
InChIInChI=1S/C10H6O5.C5H7NO/c11-9(7-3-1-5-13-7)15-10(12)8-4-2-6-14-8;6-4-5-2-1-3-7-5/h1-6H;1-3H,4,6H2
InChIKeyIVPIKRTZNMTYAU-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.61
Rot. Bonds3

About furan-2-carbonyl furan-2-carboxylate;furan-2-ylmethanamine

furan-2-carbonyl furan-2-carboxylate;furan-2-ylmethanamine (PubChem CID 175313204) has the molecular formula C15H13NO6 and a molecular weight of 303.27 g/mol. Its IUPAC name is furan-2-carbonyl furan-2-carboxylate;furan-2-ylmethanamine.

Molecular Properties

Compound Namefuran-2-carbonyl furan-2-carboxylate;furan-2-ylmethanamine
PubChem CID175313204
Molecular FormulaC15H13NO6
Molecular Weight303.27 g/mol
Exact Mass303.07
IUPAC Namefuran-2-carbonyl furan-2-carboxylate;furan-2-ylmethanamine
SMILESNCc1ccco1.O=C(OC(=O)c1ccco1)c1ccco1
InChIInChI=1S/C10H6O5.C5H7NO/c11-9(7-3-1-5-13-7)15-10(12)8-4-2-6-14-8;6-4-5-2-1-3-7-5/h1-6H;1-3H,4,6H2
InChIKeyIVPIKRTZNMTYAU-UHFFFAOYSA-N
XLogP2.61
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan-2-carbonyl furan-2-carboxylate;furan-2-ylmethanamine?
The IUPAC name of furan-2-carbonyl furan-2-carboxylate;furan-2-ylmethanamine (CID 175313204) is furan-2-carbonyl furan-2-carboxylate;furan-2-ylmethanamine.
What is the SMILES notation for furan-2-carbonyl furan-2-carboxylate;furan-2-ylmethanamine?
The canonical SMILES for furan-2-carbonyl furan-2-carboxylate;furan-2-ylmethanamine is NCc1ccco1.O=C(OC(=O)c1ccco1)c1ccco1.
What is the InChIKey of furan-2-carbonyl furan-2-carboxylate;furan-2-ylmethanamine?
The InChIKey is IVPIKRTZNMTYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O5.C5H7NO/c11-9(7-3-1-5-13-7)15-10(12)8-4-2-6-14-8;6-4-5-2-1-3-7-5/h1-6H;1-3H,4,6H2.
What are the key properties of furan-2-carbonyl furan-2-carboxylate;furan-2-ylmethanamine?
furan-2-carbonyl furan-2-carboxylate;furan-2-ylmethanamine has a molecular weight of 303.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-carbonyl furan-2-carboxylate;furan-2-ylmethanamine is sourced from PubChem (CID 175313204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).