(4-aminophenyl)-ethylidene-(furan-2-carbonylamino)azanium

C13H14N3O2+ — CID 77241276

IUPAC(4-aminophenyl)-ethylidene-(furan-2-carbonylamino)azanium
SMILESCC=[N+](NC(=O)c1ccco1)c1ccc(N)cc1
InChIInChI=1S/C13H13N3O2/c1-2-16(11-7-5-10(14)6-8-11)15-13(17)12-4-3-9-18-12/h2-9H,14H2,1H3/p+1
InChIKeyGEDFAKFJUIRKES-UHFFFAOYSA-O
MW244.27 g/mol
LogP1.94
Rot. Bonds3

About (4-aminophenyl)-ethylidene-(furan-2-carbonylamino)azanium

(4-aminophenyl)-ethylidene-(furan-2-carbonylamino)azanium (PubChem CID 77241276) has the molecular formula C13H14N3O2+ and a molecular weight of 244.27 g/mol. Its IUPAC name is (4-aminophenyl)-ethylidene-(furan-2-carbonylamino)azanium.

Molecular Properties

Compound Name(4-aminophenyl)-ethylidene-(furan-2-carbonylamino)azanium
PubChem CID77241276
Molecular FormulaC13H14N3O2+
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name(4-aminophenyl)-ethylidene-(furan-2-carbonylamino)azanium
SMILESCC=[N+](NC(=O)c1ccco1)c1ccc(N)cc1
InChIInChI=1S/C13H13N3O2/c1-2-16(11-7-5-10(14)6-8-11)15-13(17)12-4-3-9-18-12/h2-9H,14H2,1H3/p+1
InChIKeyGEDFAKFJUIRKES-UHFFFAOYSA-O
XLogP1.94
TPSA71.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (4-aminophenyl)-ethylidene-(furan-2-carbonylamino)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-aminophenyl)ethylideneamino]furan-2-carboxamide
CID 67209041
N-[(E)-prop-1-enyl]furan-2-carboxamide
CID 131242879
N-(4-amino-2,2-dimethylbutyl)furan-2-carboxamide
CID 106139844
N-chlorofuran-2-carboxamide
CID 18537247
N-(1-amino-3-methylpentan-3-yl)furan-2-carboxamide
CID 106164752
methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate
CID 102388440
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide
CID 7406194
1-(furan-2-carbonylamino)-1-methylurea
CID 130751768
furan-2-carboxylic acid;methanamine
CID 82372767
calcium;bis(furan-2-carboxylate);hydrate
CID 160535503
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide
CID 43624586

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-ethylidene-(furan-2-carbonylamino)azanium?
The IUPAC name of (4-aminophenyl)-ethylidene-(furan-2-carbonylamino)azanium (CID 77241276) is (4-aminophenyl)-ethylidene-(furan-2-carbonylamino)azanium.
What is the SMILES notation for (4-aminophenyl)-ethylidene-(furan-2-carbonylamino)azanium?
The canonical SMILES for (4-aminophenyl)-ethylidene-(furan-2-carbonylamino)azanium is CC=[N+](NC(=O)c1ccco1)c1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)-ethylidene-(furan-2-carbonylamino)azanium?
The InChIKey is GEDFAKFJUIRKES-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H13N3O2/c1-2-16(11-7-5-10(14)6-8-11)15-13(17)12-4-3-9-18-12/h2-9H,14H2,1H3/p+1.
What are the key properties of (4-aminophenyl)-ethylidene-(furan-2-carbonylamino)azanium?
(4-aminophenyl)-ethylidene-(furan-2-carbonylamino)azanium has a molecular weight of 244.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-ethylidene-(furan-2-carbonylamino)azanium is sourced from PubChem (CID 77241276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).