imino-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]iminoazanium

C15H12N3O+ — CID 6333032

IUPACimino-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]iminoazanium
SMILESN=[N+]=N/C(=C\c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C15H12N3O/c16-18-17-14(11-12-7-3-1-4-8-12)15(19)13-9-5-2-6-10-13/h1-11,16H/q+1/b14-11-
InChIKeyQZPAJNRWKJFWLZ-KAMYIIQDSA-N
MW250.28 g/mol
LogP3.46
Rot. Bonds4

About imino-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]iminoazanium

imino-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]iminoazanium (PubChem CID 6333032) has the molecular formula C15H12N3O+ and a molecular weight of 250.28 g/mol. Its IUPAC name is imino-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]iminoazanium.

Molecular Properties

Compound Nameimino-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]iminoazanium
PubChem CID6333032
Molecular FormulaC15H12N3O+
Molecular Weight250.28 g/mol
Exact Mass250.10
IUPAC Nameimino-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]iminoazanium
SMILESN=[N+]=N/C(=C\c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C15H12N3O/c16-18-17-14(11-12-7-3-1-4-8-12)15(19)13-9-5-2-6-10-13/h1-11,16H/q+1/b14-11-
InChIKeyQZPAJNRWKJFWLZ-KAMYIIQDSA-N
XLogP3.46
TPSA67.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one
CID 141419915
(Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one
CID 11476367
(E)-3-benzoyl-2-oxo-4-phenylbut-3-enoic acid
CID 9467692
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
3-hydroxy-2-nitroso-1-phenylprop-2-en-1-one
CID 151303538
(Z)-2-(bromomethyl)-1,3-diphenylprop-2-en-1-one
CID 5475883
imino(1-phenylethenylimino)azanium
CID 6333477

Frequently Asked Questions

What is the IUPAC name of imino-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]iminoazanium?
The IUPAC name of imino-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]iminoazanium (CID 6333032) is imino-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]iminoazanium.
What is the SMILES notation for imino-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]iminoazanium?
The canonical SMILES for imino-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]iminoazanium is N=[N+]=N/C(=C\c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of imino-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]iminoazanium?
The InChIKey is QZPAJNRWKJFWLZ-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H12N3O/c16-18-17-14(11-12-7-3-1-4-8-12)15(19)13-9-5-2-6-10-13/h1-11,16H/q+1/b14-11-.
What are the key properties of imino-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]iminoazanium?
imino-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]iminoazanium has a molecular weight of 250.28 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]iminoazanium is sourced from PubChem (CID 6333032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).