(4Z)-4-hydrazinylidene-4-phenylbutanoic acid

C10H12N2O2 — CID 5406458

IUPAC(4Z)-4-hydrazinylidene-4-phenylbutanoic acid
SMILESN/N=C(/CCC(=O)O)c1ccccc1
InChIInChI=1S/C10H12N2O2/c11-12-9(6-7-10(13)14)8-4-2-1-3-5-8/h1-5H,6-7,11H2,(H,13,14)/b12-9-
InChIKeyPGFZHLXNJJFRRL-XFXZXTDPSA-N
MW192.22 g/mol
LogP1.21
Rot. Bonds4

About (4Z)-4-hydrazinylidene-4-phenylbutanoic acid

(4Z)-4-hydrazinylidene-4-phenylbutanoic acid (PubChem CID 5406458) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (4Z)-4-hydrazinylidene-4-phenylbutanoic acid.

Molecular Properties

Compound Name(4Z)-4-hydrazinylidene-4-phenylbutanoic acid
PubChem CID5406458
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(4Z)-4-hydrazinylidene-4-phenylbutanoic acid
SMILESN/N=C(/CCC(=O)O)c1ccccc1
InChIInChI=1S/C10H12N2O2/c11-12-9(6-7-10(13)14)8-4-2-1-3-5-8/h1-5H,6-7,11H2,(H,13,14)/b12-9-
InChIKeyPGFZHLXNJJFRRL-XFXZXTDPSA-N
XLogP1.21
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid
CID 2834574
4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid
CID 131861254
4-(carbamothioylhydrazinylidene)-4-phenylbutanoic acid
CID 3038095
(4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid
CID 10193227
(6Z)-6-hydroxyimino-6-phenylhexanoic acid
CID 121009203
(4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid
CID 6380098
8-hydroxyimino-8-phenyloctanoic acid
CID 85433757
(Z)-(2-nitro-1-phenylethylidene)hydrazine
CID 129410333
(4E)-4-[(4-bromobenzoyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6391991
1,2-diphenylethylidenehydrazine;ethane
CID 91449631
4-phenylhex-4-enoic acid
CID 67746450
(4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid
CID 46229742

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-hydrazinylidene-4-phenylbutanoic acid?
The IUPAC name of (4Z)-4-hydrazinylidene-4-phenylbutanoic acid (CID 5406458) is (4Z)-4-hydrazinylidene-4-phenylbutanoic acid.
What is the SMILES notation for (4Z)-4-hydrazinylidene-4-phenylbutanoic acid?
The canonical SMILES for (4Z)-4-hydrazinylidene-4-phenylbutanoic acid is N/N=C(/CCC(=O)O)c1ccccc1.
What is the InChIKey of (4Z)-4-hydrazinylidene-4-phenylbutanoic acid?
The InChIKey is PGFZHLXNJJFRRL-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-12-9(6-7-10(13)14)8-4-2-1-3-5-8/h1-5H,6-7,11H2,(H,13,14)/b12-9-.
What are the key properties of (4Z)-4-hydrazinylidene-4-phenylbutanoic acid?
(4Z)-4-hydrazinylidene-4-phenylbutanoic acid has a molecular weight of 192.22 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-hydrazinylidene-4-phenylbutanoic acid is sourced from PubChem (CID 5406458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).