2-(5-anilino-2-hydroxypenta-2,4-dienylidene)propanedinitrile

C14H11N3O — CID 4140224

IUPAC2-(5-anilino-2-hydroxypenta-2,4-dienylidene)propanedinitrile
SMILESN#CC(C#N)=CC(O)=CC=CNc1ccccc1
InChIInChI=1S/C14H11N3O/c15-10-12(11-16)9-14(18)7-4-8-17-13-5-2-1-3-6-13/h1-9,17-18H
InChIKeyIRGGPNUXSSJANH-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.03
Rot. Bonds4

About 2-(5-anilino-2-hydroxypenta-2,4-dienylidene)propanedinitrile

2-(5-anilino-2-hydroxypenta-2,4-dienylidene)propanedinitrile (PubChem CID 4140224) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(5-anilino-2-hydroxypenta-2,4-dienylidene)propanedinitrile.

Molecular Properties

Compound Name2-(5-anilino-2-hydroxypenta-2,4-dienylidene)propanedinitrile
PubChem CID4140224
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-(5-anilino-2-hydroxypenta-2,4-dienylidene)propanedinitrile
SMILESN#CC(C#N)=CC(O)=CC=CNc1ccccc1
InChIInChI=1S/C14H11N3O/c15-10-12(11-16)9-14(18)7-4-8-17-13-5-2-1-3-6-13/h1-9,17-18H
InChIKeyIRGGPNUXSSJANH-UHFFFAOYSA-N
XLogP3.03
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-(5-anilino-2-hydroxypenta-2,4-dienylidene)propanedinitrile 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

N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride
CID 75086588
benzene;bis(N-prop-1-enylaniline)
CID 70363490
dimethyl 2-(3-anilinoprop-2-enylidene)propanedioate
CID 72578596
2-anilinoethenol
CID 154058037
N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline
CID 143914074
N-[(1E,3E)-4-tert-butylhexa-1,3,5-trienyl]aniline
CID 118027593
N-[(1E,3E)-hexa-1,3,5-trienyl]aniline
CID 88563341
5-anilino-2-(phenyliminomethyl)penta-2,4-dienamide;hydrochloride
CID 139802092
[(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride
CID 14228408
2-(7-phenylhepta-2,4,6-trienylidene)propanedinitrile
CID 575621
8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium
CID 123995798
N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride
CID 156769012

Frequently Asked Questions

What is the IUPAC name of 2-(5-anilino-2-hydroxypenta-2,4-dienylidene)propanedinitrile?
The IUPAC name of 2-(5-anilino-2-hydroxypenta-2,4-dienylidene)propanedinitrile (CID 4140224) is 2-(5-anilino-2-hydroxypenta-2,4-dienylidene)propanedinitrile.
What is the SMILES notation for 2-(5-anilino-2-hydroxypenta-2,4-dienylidene)propanedinitrile?
The canonical SMILES for 2-(5-anilino-2-hydroxypenta-2,4-dienylidene)propanedinitrile is N#CC(C#N)=CC(O)=CC=CNc1ccccc1.
What is the InChIKey of 2-(5-anilino-2-hydroxypenta-2,4-dienylidene)propanedinitrile?
The InChIKey is IRGGPNUXSSJANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-10-12(11-16)9-14(18)7-4-8-17-13-5-2-1-3-6-13/h1-9,17-18H.
What are the key properties of 2-(5-anilino-2-hydroxypenta-2,4-dienylidene)propanedinitrile?
2-(5-anilino-2-hydroxypenta-2,4-dienylidene)propanedinitrile has a molecular weight of 237.26 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-anilino-2-hydroxypenta-2,4-dienylidene)propanedinitrile is sourced from PubChem (CID 4140224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).