N-[(2E)-2-ethenylpenta-2,4-dienylidene]-N'-methanimidoylbenzenecarboximidamide

C15H15N3 — CID 166984457

IUPACN-[(2E)-2-ethenylpenta-2,4-dienylidene]-N'-methanimidoylbenzenecarboximidamide
SMILES[H]/N=C/N=C(\N=C\C(C=C)=C\C=C)c1ccccc1
InChIInChI=1S/C15H15N3/c1-3-8-13(4-2)11-17-15(18-12-16)14-9-6-5-7-10-14/h3-12,16H,1-2H2/b13-8+,16-12+,17-11+,18-15-
InChIKeyFPYXAKATBWQPPK-HRWHOCDTSA-N
MW237.31 g/mol
LogP3.41
Rot. Bonds5

About N-[(2E)-2-ethenylpenta-2,4-dienylidene]-N'-methanimidoylbenzenecarboximidamide

N-[(2E)-2-ethenylpenta-2,4-dienylidene]-N'-methanimidoylbenzenecarboximidamide (PubChem CID 166984457) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[(2E)-2-ethenylpenta-2,4-dienylidene]-N'-methanimidoylbenzenecarboximidamide.

Molecular Properties

Compound NameN-[(2E)-2-ethenylpenta-2,4-dienylidene]-N'-methanimidoylbenzenecarboximidamide
PubChem CID166984457
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC NameN-[(2E)-2-ethenylpenta-2,4-dienylidene]-N'-methanimidoylbenzenecarboximidamide
SMILES[H]/N=C/N=C(\N=C\C(C=C)=C\C=C)c1ccccc1
InChIInChI=1S/C15H15N3/c1-3-8-13(4-2)11-17-15(18-12-16)14-9-6-5-7-10-14/h3-12,16H,1-2H2/b13-8+,16-12+,17-11+,18-15-
InChIKeyFPYXAKATBWQPPK-HRWHOCDTSA-N
XLogP3.41
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-ethenylpenta-2,4-dienylidene]-N'-methanimidoylbenzenecarboximidamide?
The IUPAC name of N-[(2E)-2-ethenylpenta-2,4-dienylidene]-N'-methanimidoylbenzenecarboximidamide (CID 166984457) is N-[(2E)-2-ethenylpenta-2,4-dienylidene]-N'-methanimidoylbenzenecarboximidamide.
What is the SMILES notation for N-[(2E)-2-ethenylpenta-2,4-dienylidene]-N'-methanimidoylbenzenecarboximidamide?
The canonical SMILES for N-[(2E)-2-ethenylpenta-2,4-dienylidene]-N'-methanimidoylbenzenecarboximidamide is [H]/N=C/N=C(\N=C\C(C=C)=C\C=C)c1ccccc1.
What is the InChIKey of N-[(2E)-2-ethenylpenta-2,4-dienylidene]-N'-methanimidoylbenzenecarboximidamide?
The InChIKey is FPYXAKATBWQPPK-HRWHOCDTSA-N. The full InChI is InChI=1S/C15H15N3/c1-3-8-13(4-2)11-17-15(18-12-16)14-9-6-5-7-10-14/h3-12,16H,1-2H2/b13-8+,16-12+,17-11+,18-15-.
What are the key properties of N-[(2E)-2-ethenylpenta-2,4-dienylidene]-N'-methanimidoylbenzenecarboximidamide?
N-[(2E)-2-ethenylpenta-2,4-dienylidene]-N'-methanimidoylbenzenecarboximidamide has a molecular weight of 237.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-ethenylpenta-2,4-dienylidene]-N'-methanimidoylbenzenecarboximidamide is sourced from PubChem (CID 166984457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).