hydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride

C15H15ClN2 — CID 91997009

IUPAChydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride
SMILESC(=C/Nc1ccccc1)\C=N\c1ccccc1.[Cl-].[H+]
InChIInChI=1S/C15H14N2.ClH/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;/h1-13,16H;1H/b12-7+,17-13+;
InChIKeyPBKBURVPAHHUIK-LIQLGICFSA-N
MW258.75 g/mol
LogP1.13
Rot. Bonds4

About hydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride

hydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride (PubChem CID 91997009) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is hydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride.

Molecular Properties

Compound Namehydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride
PubChem CID91997009
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Namehydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride
SMILESC(=C/Nc1ccccc1)\C=N\c1ccccc1.[Cl-].[H+]
InChIInChI=1S/C15H14N2.ClH/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;/h1-13,16H;1H/b12-7+,17-13+;
InChIKeyPBKBURVPAHHUIK-LIQLGICFSA-N
XLogP1.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydron;N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride
CID 174144711
N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride
CID 161064876
N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride
CID 75086588
N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine
CID 10726275
5-anilino-2-(phenyliminomethyl)penta-2,4-dienamide;hydrochloride
CID 139802092
(Z)-3-phenyliminoprop-1-en-1-amine
CID 118014655
3-chloro-N-[5-(3-chlorophenyl)iminopenta-1,3-dienyl]aniline
CID 165343790
(Z)-N,3-diphenylprop-2-en-1-imine
CID 40507555
N-phenylpenta-2,4-dien-1-imine
CID 123454989
4-methylsulfanyl-N-[5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline
CID 74935118
N-[(1E,3E)-hexa-1,3,5-trienyl]aniline
CID 88563341
[(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride
CID 14228408

Frequently Asked Questions

What is the IUPAC name of hydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride?
The IUPAC name of hydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride (CID 91997009) is hydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride.
What is the SMILES notation for hydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride?
The canonical SMILES for hydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride is C(=C/Nc1ccccc1)\C=N\c1ccccc1.[Cl-].[H+].
What is the InChIKey of hydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride?
The InChIKey is PBKBURVPAHHUIK-LIQLGICFSA-N. The full InChI is InChI=1S/C15H14N2.ClH/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;/h1-13,16H;1H/b12-7+,17-13+;.
What are the key properties of hydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride?
hydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride has a molecular weight of 258.75 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride is sourced from PubChem (CID 91997009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).