N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide

C12H12N2O3 — CID 5334069

IUPACN-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccco1)c1ccc(C)o1
InChIInChI=1S/C12H12N2O3/c1-8-5-6-10(17-8)9(2)13-14-12(15)11-4-3-7-16-11/h3-7H,1-2H3,(H,14,15)/b13-9+
InChIKeyLNWJYSQUOFSYET-UKTHLTGXSA-N
MW232.24 g/mol
LogP2.34
Rot. Bonds3

About N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide

N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide (PubChem CID 5334069) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide
PubChem CID5334069
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccco1)c1ccc(C)o1
InChIInChI=1S/C12H12N2O3/c1-8-5-6-10(17-8)9(2)13-14-12(15)11-4-3-7-16-11/h3-7H,1-2H3,(H,14,15)/b13-9+
InChIKeyLNWJYSQUOFSYET-UKTHLTGXSA-N
XLogP2.34
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.34
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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Related Compounds

N'-(1-ethyl-4-piperidinylidene)-2-furohydrazide
CID 840590
N-(tert-butyl)-3-(2-furoylhydrazono)butanamide
CID 5822222
N',N'''-Ethanediylidenebis(2-furohydrazide)
CID 6898804
N'-(1-methyl-4-piperidinylidene)-2-furohydrazide
CID 868151
N'-[(5-bromo-2-furyl)methylene]-5-methyl-2-furohydrazide
CID 5335323
5-bromo-N'-[1-(5-methyl-2-furyl)ethylidene]-2-furohydrazide
CID 5416348
N'-[1-(1-benzofuran-2-yl)ethylidene]-2-furohydrazide
CID 9650874
N'-(4-tert-butylcyclohexylidene)-2-furohydrazide
CID 831804
N'-(3-furylmethylene)-2-furohydrazide
CID 5411959
N'~2~,N'~5~-bis[1-(2-furyl)ethylidene]-2,5-furandicarbohydrazide
CID 5430472
(Z)-N-(2-(2-(1-(furan-2-yl)ethylidene)hydrazinyl)-2-oxoethyl)furan-2-carboxamide
CID 6367981
N'~2~,N'~5~-bis(2-furylmethylene)-2,5-furandicarbohydrazide
CID 6874196

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide (CID 5334069) is N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide is C/C(=N\NC(=O)c1ccco1)c1ccc(C)o1.
What is the InChIKey of N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide?
The InChIKey is LNWJYSQUOFSYET-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-5-6-10(17-8)9(2)13-14-12(15)11-4-3-7-16-11/h3-7H,1-2H3,(H,14,15)/b13-9+.
What are the key properties of N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide?
N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 5334069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).