(2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane

C17H17N3O2 — CID 91067618

IUPAC(2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane
SMILESCC.N#Cc1ccc(/C(=N\Nc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C15H11N3O2.C2H6/c16-10-11-6-8-12(9-7-11)14(15(19)20)18-17-13-4-2-1-3-5-13;1-2/h1-9,17H,(H,19,20);1-2H3/b18-14+;
InChIKeyZFCZQCGQPPMRQN-LSJACRKWSA-N
MW295.34 g/mol
LogP3.49
Rot. Bonds4

About (2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane

(2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane (PubChem CID 91067618) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane.

Molecular Properties

Compound Name(2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane
PubChem CID91067618
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name(2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane
SMILESCC.N#Cc1ccc(/C(=N\Nc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C15H11N3O2.C2H6/c16-10-11-6-8-12(9-7-11)14(15(19)20)18-17-13-4-2-1-3-5-13;1-2/h1-9,17H,(H,19,20);1-2H3/b18-14+;
InChIKeyZFCZQCGQPPMRQN-LSJACRKWSA-N
XLogP3.49
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
4-cyano-N,N'-diphenylbenzohydrazide
CID 11301448
(2Z)-N-methyl-2-phenyl-2-(phenylhydrazinylidene)acetamide
CID 15371306
(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)acetamide
CID 14933591
(2E)-2-(4,5-diamino-6-cyano-7-phenylnaphthalen-2-yl)-2-(phenylhydrazinylidene)acetic acid
CID 11144289
methyl N-[1-(4-cyanophenyl)ethenylamino]carbamate
CID 2589936
4-(4-cyanophenyl)benzoic acid;ethane
CID 143220259
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
N'-anilino-2-oxopropanimidamide
CID 6340113
4-(4-cyanophenyl)-N-methylbenzamide
CID 130318851
(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide
CID 14933594
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane?
The IUPAC name of (2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane (CID 91067618) is (2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane.
What is the SMILES notation for (2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane?
The canonical SMILES for (2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane is CC.N#Cc1ccc(/C(=N\Nc2ccccc2)C(=O)O)cc1.
What is the InChIKey of (2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane?
The InChIKey is ZFCZQCGQPPMRQN-LSJACRKWSA-N. The full InChI is InChI=1S/C15H11N3O2.C2H6/c16-10-11-6-8-12(9-7-11)14(15(19)20)18-17-13-4-2-1-3-5-13;1-2/h1-9,17H,(H,19,20);1-2H3/b18-14+;.
What are the key properties of (2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane?
(2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane has a molecular weight of 295.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane is sourced from PubChem (CID 91067618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).