N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide

C12H12N2O3 — CID 7727331

IUPACN-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccco2)c(C)o1
InChIInChI=1S/C12H12N2O3/c1-8-6-11(9(2)17-8)12(15)14-13-7-10-4-3-5-16-10/h3-7H,1-2H3,(H,14,15)/b13-7+
InChIKeyLHMSRICAIQLHPI-NTUHNPAUSA-N
MW232.24 g/mol
LogP2.25
Rot. Bonds3

About N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 7727331) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID7727331
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccco2)c(C)o1
InChIInChI=1S/C12H12N2O3/c1-8-6-11(9(2)17-8)12(15)14-13-7-10-4-3-5-16-10/h3-7H,1-2H3,(H,14,15)/b13-7+
InChIKeyLHMSRICAIQLHPI-NTUHNPAUSA-N
XLogP2.25
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 ≤ 52.25
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-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378
4-[(E)-[(2,5-dimethylfuran-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6893767
2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide
CID 6893777
4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
CID 722431
N-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893755
N-[(Z)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5412703
N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760437
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
2,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]furan-3-carboxamide
CID 847616
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide
CID 838465
2,5-dimethyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 6893765

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 7727331) is N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N/N=C/c2ccco2)c(C)o1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is LHMSRICAIQLHPI-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-6-11(9(2)17-8)12(15)14-13-7-10-4-3-5-16-10/h3-7H,1-2H3,(H,14,15)/b13-7+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 232.24 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-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 7727331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).