2,3-bis(phenylhydrazinylidene)propanal

C15H14N4O — CID 6399152

IUPAC2,3-bis(phenylhydrazinylidene)propanal
SMILESO=CC(C=NNc1ccccc1)=NNc1ccccc1
InChIInChI=1S/C15H14N4O/c20-12-15(19-18-14-9-5-2-6-10-14)11-16-17-13-7-3-1-4-8-13/h1-12,17-18H
InChIKeyKUJFGJHDLBKAEN-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.75
Rot. Bonds6

About 2,3-bis(phenylhydrazinylidene)propanal

2,3-bis(phenylhydrazinylidene)propanal (PubChem CID 6399152) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2,3-bis(phenylhydrazinylidene)propanal.

Molecular Properties

Compound Name2,3-bis(phenylhydrazinylidene)propanal
PubChem CID6399152
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2,3-bis(phenylhydrazinylidene)propanal
SMILESO=CC(C=NNc1ccccc1)=NNc1ccccc1
InChIInChI=1S/C15H14N4O/c20-12-15(19-18-14-9-5-2-6-10-14)11-16-17-13-7-3-1-4-8-13/h1-12,17-18H
InChIKeyKUJFGJHDLBKAEN-UHFFFAOYSA-N
XLogP2.75
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,3-bis(phenylhydrazinylidene)propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal
CID 137266431
N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine
CID 137198938
(2E)-N'-anilino-2-(phenylhydrazinylidene)ethanimidamide
CID 15309595
(1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride
CID 134879796
2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone
CID 2749285
(2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol
CID 72710757
N-[(E)-[(2E,3E)-2,3-bis[methyl(phenyl)hydrazinylidene]propylidene]amino]aniline
CID 18531202
(2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one
CID 5370271
(2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol
CID 6409663
N-[2-(phenylhydrazinylidene)ethylidene]hydroxylamine
CID 137223545
ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate
CID 90967313
(2R,3R,4S,5E,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol
CID 7658673

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(phenylhydrazinylidene)propanal?
The IUPAC name of 2,3-bis(phenylhydrazinylidene)propanal (CID 6399152) is 2,3-bis(phenylhydrazinylidene)propanal.
What is the SMILES notation for 2,3-bis(phenylhydrazinylidene)propanal?
The canonical SMILES for 2,3-bis(phenylhydrazinylidene)propanal is O=CC(C=NNc1ccccc1)=NNc1ccccc1.
What is the InChIKey of 2,3-bis(phenylhydrazinylidene)propanal?
The InChIKey is KUJFGJHDLBKAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-12-15(19-18-14-9-5-2-6-10-14)11-16-17-13-7-3-1-4-8-13/h1-12,17-18H.
What are the key properties of 2,3-bis(phenylhydrazinylidene)propanal?
2,3-bis(phenylhydrazinylidene)propanal has a molecular weight of 266.30 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(phenylhydrazinylidene)propanal is sourced from PubChem (CID 6399152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).