5-anilinopenta-2,4-dienylidene(phenyl)azanium chloride

C17H17ClN2 — CID 6093633

IUPAC5-anilinopenta-2,4-dienylidene(phenyl)azanium chloride
SMILESC(C=CNc1ccccc1)=C/C=[NH+]/c1ccccc1.[Cl-]
InChIInChI=1S/C17H16N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-15,18H;1H/b9-3?,14-8?,19-15+;
InChIKeyVUCMMJBDNXZQDJ-FTDOOMHYSA-N
MW284.79 g/mol
LogP-0.34
Rot. Bonds5

About 5-anilinopenta-2,4-dienylidene(phenyl)azanium chloride

5-anilinopenta-2,4-dienylidene(phenyl)azanium chloride (PubChem CID 6093633) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-anilinopenta-2,4-dienylidene(phenyl)azanium chloride.

Molecular Properties

Compound Name5-anilinopenta-2,4-dienylidene(phenyl)azanium chloride
PubChem CID6093633
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name5-anilinopenta-2,4-dienylidene(phenyl)azanium chloride
SMILESC(C=CNc1ccccc1)=C/C=[NH+]/c1ccccc1.[Cl-]
InChIInChI=1S/C17H16N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-15,18H;1H/b9-3?,14-8?,19-15+;
InChIKeyVUCMMJBDNXZQDJ-FTDOOMHYSA-N
XLogP-0.34
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-anilinopenta-2,4-dienylidene(phenyl)azanium chloride?
The IUPAC name of 5-anilinopenta-2,4-dienylidene(phenyl)azanium chloride (CID 6093633) is 5-anilinopenta-2,4-dienylidene(phenyl)azanium chloride.
What is the SMILES notation for 5-anilinopenta-2,4-dienylidene(phenyl)azanium chloride?
The canonical SMILES for 5-anilinopenta-2,4-dienylidene(phenyl)azanium chloride is C(C=CNc1ccccc1)=C/C=[NH+]/c1ccccc1.[Cl-].
What is the InChIKey of 5-anilinopenta-2,4-dienylidene(phenyl)azanium chloride?
The InChIKey is VUCMMJBDNXZQDJ-FTDOOMHYSA-N. The full InChI is InChI=1S/C17H16N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-15,18H;1H/b9-3?,14-8?,19-15+;.
What are the key properties of 5-anilinopenta-2,4-dienylidene(phenyl)azanium chloride?
5-anilinopenta-2,4-dienylidene(phenyl)azanium chloride has a molecular weight of 284.79 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilinopenta-2,4-dienylidene(phenyl)azanium chloride is sourced from PubChem (CID 6093633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).