N'-[3-(furan-2-yl)prop-2-enylideneamino]benzenecarboximidamide

C14H13N3O — CID 70171441

IUPACN'-[3-(furan-2-yl)prop-2-enylideneamino]benzenecarboximidamide
SMILESNC(=NN=CC=Cc1ccco1)c1ccccc1
InChIInChI=1S/C14H13N3O/c15-14(12-6-2-1-3-7-12)17-16-10-4-8-13-9-5-11-18-13/h1-11H,(H2,15,17)
InChIKeyHGELWVLKLYCQMU-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.68
Rot. Bonds4

About N'-[3-(furan-2-yl)prop-2-enylideneamino]benzenecarboximidamide

N'-[3-(furan-2-yl)prop-2-enylideneamino]benzenecarboximidamide (PubChem CID 70171441) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N'-[3-(furan-2-yl)prop-2-enylideneamino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[3-(furan-2-yl)prop-2-enylideneamino]benzenecarboximidamide
PubChem CID70171441
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN'-[3-(furan-2-yl)prop-2-enylideneamino]benzenecarboximidamide
SMILESNC(=NN=CC=Cc1ccco1)c1ccccc1
InChIInChI=1S/C14H13N3O/c15-14(12-6-2-1-3-7-12)17-16-10-4-8-13-9-5-11-18-13/h1-11H,(H2,15,17)
InChIKeyHGELWVLKLYCQMU-UHFFFAOYSA-N
XLogP2.68
TPSA63.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N'-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1,2,5-oxadiazole-3-carboximidamide
CID 21214173
N'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide
CID 45048663
N'-[(Z)-ethylideneamino]benzenecarboximidamide
CID 23272286
2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 171979949
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide
CID 6893827
N-[3-(furan-2-yl)prop-2-enylideneamino]pyridine-4-carboxamide
CID 2853290
N'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide
CID 135627037
2-[2-[2-[2-(furan-2-yl)ethenyl]phenyl]ethenyl]furan
CID 91360504
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide
CID 5369634
2-nona-1,3,5,7-tetraenylfuran
CID 173428871
3-(furan-2-yl)-2-phenylprop-2-enamide
CID 1281215
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide
CID 11958888

Frequently Asked Questions

What is the IUPAC name of N'-[3-(furan-2-yl)prop-2-enylideneamino]benzenecarboximidamide?
The IUPAC name of N'-[3-(furan-2-yl)prop-2-enylideneamino]benzenecarboximidamide (CID 70171441) is N'-[3-(furan-2-yl)prop-2-enylideneamino]benzenecarboximidamide.
What is the SMILES notation for N'-[3-(furan-2-yl)prop-2-enylideneamino]benzenecarboximidamide?
The canonical SMILES for N'-[3-(furan-2-yl)prop-2-enylideneamino]benzenecarboximidamide is NC(=NN=CC=Cc1ccco1)c1ccccc1.
What is the InChIKey of N'-[3-(furan-2-yl)prop-2-enylideneamino]benzenecarboximidamide?
The InChIKey is HGELWVLKLYCQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-14(12-6-2-1-3-7-12)17-16-10-4-8-13-9-5-11-18-13/h1-11H,(H2,15,17).
What are the key properties of N'-[3-(furan-2-yl)prop-2-enylideneamino]benzenecarboximidamide?
N'-[3-(furan-2-yl)prop-2-enylideneamino]benzenecarboximidamide has a molecular weight of 239.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(furan-2-yl)prop-2-enylideneamino]benzenecarboximidamide is sourced from PubChem (CID 70171441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).