(6Z)-6-[(4-chlorophenyl)hydrazinylidene]heptanoic acid

C13H17ClN2O2 — CID 134858389

IUPAC(6Z)-6-[(4-chlorophenyl)hydrazinylidene]heptanoic acid
SMILESC/C(CCCCC(=O)O)=N/Nc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-10(4-2-3-5-13(17)18)15-16-12-8-6-11(14)7-9-12/h6-9,16H,2-5H2,1H3,(H,17,18)/b15-10-
InChIKeyQBTAJHOOIJGCBU-GDNBJRDFSA-N
MW268.74 g/mol
LogP3.77
Rot. Bonds7

About (6Z)-6-[(4-chlorophenyl)hydrazinylidene]heptanoic acid

(6Z)-6-[(4-chlorophenyl)hydrazinylidene]heptanoic acid (PubChem CID 134858389) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (6Z)-6-[(4-chlorophenyl)hydrazinylidene]heptanoic acid.

Molecular Properties

Compound Name(6Z)-6-[(4-chlorophenyl)hydrazinylidene]heptanoic acid
PubChem CID134858389
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(6Z)-6-[(4-chlorophenyl)hydrazinylidene]heptanoic acid
SMILESC/C(CCCCC(=O)O)=N/Nc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-10(4-2-3-5-13(17)18)15-16-12-8-6-11(14)7-9-12/h6-9,16H,2-5H2,1H3,(H,17,18)/b15-10-
InChIKeyQBTAJHOOIJGCBU-GDNBJRDFSA-N
XLogP3.77
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

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3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
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4-chloro-N-(1-phenylethylideneamino)aniline
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methyl (4E)-4-(phenylhydrazinylidene)pentanoate
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4-chloro-N-[(E)-1-nitropropylideneamino]aniline
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CID 14072049

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(4-chlorophenyl)hydrazinylidene]heptanoic acid?
The IUPAC name of (6Z)-6-[(4-chlorophenyl)hydrazinylidene]heptanoic acid (CID 134858389) is (6Z)-6-[(4-chlorophenyl)hydrazinylidene]heptanoic acid.
What is the SMILES notation for (6Z)-6-[(4-chlorophenyl)hydrazinylidene]heptanoic acid?
The canonical SMILES for (6Z)-6-[(4-chlorophenyl)hydrazinylidene]heptanoic acid is C/C(CCCCC(=O)O)=N/Nc1ccc(Cl)cc1.
What is the InChIKey of (6Z)-6-[(4-chlorophenyl)hydrazinylidene]heptanoic acid?
The InChIKey is QBTAJHOOIJGCBU-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-10(4-2-3-5-13(17)18)15-16-12-8-6-11(14)7-9-12/h6-9,16H,2-5H2,1H3,(H,17,18)/b15-10-.
What are the key properties of (6Z)-6-[(4-chlorophenyl)hydrazinylidene]heptanoic acid?
(6Z)-6-[(4-chlorophenyl)hydrazinylidene]heptanoic acid has a molecular weight of 268.74 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(4-chlorophenyl)hydrazinylidene]heptanoic acid is sourced from PubChem (CID 134858389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).