(1E)-1-(phenylhydrazinylidene)-1-pyridin-4-ylpropan-2-one

C14H13N3O — CID 11064487

IUPAC(1E)-1-(phenylhydrazinylidene)-1-pyridin-4-ylpropan-2-one
SMILESCC(=O)/C(=N/Nc1ccccc1)c1ccncc1
InChIInChI=1S/C14H13N3O/c1-11(18)14(12-7-9-15-10-8-12)17-16-13-5-3-2-4-6-13/h2-10,16H,1H3/b17-14-
InChIKeyNLGXNKOFBPDITD-VKAVYKQESA-N
MW239.28 g/mol
LogP2.49
Rot. Bonds4

About (1E)-1-(phenylhydrazinylidene)-1-pyridin-4-ylpropan-2-one

(1E)-1-(phenylhydrazinylidene)-1-pyridin-4-ylpropan-2-one (PubChem CID 11064487) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is (1E)-1-(phenylhydrazinylidene)-1-pyridin-4-ylpropan-2-one.

Molecular Properties

Compound Name(1E)-1-(phenylhydrazinylidene)-1-pyridin-4-ylpropan-2-one
PubChem CID11064487
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name(1E)-1-(phenylhydrazinylidene)-1-pyridin-4-ylpropan-2-one
SMILESCC(=O)/C(=N/Nc1ccccc1)c1ccncc1
InChIInChI=1S/C14H13N3O/c1-11(18)14(12-7-9-15-10-8-12)17-16-13-5-3-2-4-6-13/h2-10,16H,1H3/b17-14-
InChIKeyNLGXNKOFBPDITD-VKAVYKQESA-N
XLogP2.49
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-C-acetyl-N-anilinocarbonimidoyl]benzonitrile
CID 123575192
(2Z)-N-methyl-2-phenyl-2-(phenylhydrazinylidene)acetamide
CID 15371306
(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)acetamide
CID 14933591
N-anilino-N-[hydroxy(methyl)amino]pyridine-4-carboxamide
CID 57208281
N'-anilino-2-oxopropanimidamide
CID 6340113
N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
CID 46202828
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
N'-anilino-N-phenyliminopyridine-4-carboximidamide
CID 91732185
3-(phenylhydrazinylidene)pentan-2-one
CID 23263615
(2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane
CID 91067618
(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide
CID 14933594
N-anilino-2-oxopropanimidoyl cyanide
CID 830615

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(phenylhydrazinylidene)-1-pyridin-4-ylpropan-2-one?
The IUPAC name of (1E)-1-(phenylhydrazinylidene)-1-pyridin-4-ylpropan-2-one (CID 11064487) is (1E)-1-(phenylhydrazinylidene)-1-pyridin-4-ylpropan-2-one.
What is the SMILES notation for (1E)-1-(phenylhydrazinylidene)-1-pyridin-4-ylpropan-2-one?
The canonical SMILES for (1E)-1-(phenylhydrazinylidene)-1-pyridin-4-ylpropan-2-one is CC(=O)/C(=N/Nc1ccccc1)c1ccncc1.
What is the InChIKey of (1E)-1-(phenylhydrazinylidene)-1-pyridin-4-ylpropan-2-one?
The InChIKey is NLGXNKOFBPDITD-VKAVYKQESA-N. The full InChI is InChI=1S/C14H13N3O/c1-11(18)14(12-7-9-15-10-8-12)17-16-13-5-3-2-4-6-13/h2-10,16H,1H3/b17-14-.
What are the key properties of (1E)-1-(phenylhydrazinylidene)-1-pyridin-4-ylpropan-2-one?
(1E)-1-(phenylhydrazinylidene)-1-pyridin-4-ylpropan-2-one has a molecular weight of 239.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(phenylhydrazinylidene)-1-pyridin-4-ylpropan-2-one is sourced from PubChem (CID 11064487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).