dimethyl (2Z)-2-[(2-hydroxybenzoyl)hydrazinylidene]pentanedioate

C14H16N2O6 — CID 43834949

IUPACdimethyl (2Z)-2-[(2-hydroxybenzoyl)hydrazinylidene]pentanedioate
SMILESCOC(=O)CC/C(=N/NC(=O)c1ccccc1O)C(=O)OC
InChIInChI=1S/C14H16N2O6/c1-21-12(18)8-7-10(14(20)22-2)15-16-13(19)9-5-3-4-6-11(9)17/h3-6,17H,7-8H2,1-2H3,(H,16,19)/b15-10-
InChIKeyIBKHQGGPTZOYGV-GDNBJRDFSA-N
MW308.29 g/mol
LogP0.60
Rot. Bonds6

About dimethyl (2Z)-2-[(2-hydroxybenzoyl)hydrazinylidene]pentanedioate

dimethyl (2Z)-2-[(2-hydroxybenzoyl)hydrazinylidene]pentanedioate (PubChem CID 43834949) has the molecular formula C14H16N2O6 and a molecular weight of 308.29 g/mol. Its IUPAC name is dimethyl (2Z)-2-[(2-hydroxybenzoyl)hydrazinylidene]pentanedioate.

Molecular Properties

Compound Namedimethyl (2Z)-2-[(2-hydroxybenzoyl)hydrazinylidene]pentanedioate
PubChem CID43834949
Molecular FormulaC14H16N2O6
Molecular Weight308.29 g/mol
Exact Mass308.10
IUPAC Namedimethyl (2Z)-2-[(2-hydroxybenzoyl)hydrazinylidene]pentanedioate
SMILESCOC(=O)CC/C(=N/NC(=O)c1ccccc1O)C(=O)OC
InChIInChI=1S/C14H16N2O6/c1-21-12(18)8-7-10(14(20)22-2)15-16-13(19)9-5-3-4-6-11(9)17/h3-6,17H,7-8H2,1-2H3,(H,16,19)/b15-10-
InChIKeyIBKHQGGPTZOYGV-GDNBJRDFSA-N
XLogP0.60
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

methyl 2-(benzoylhydrazinylidene)pentanoate
CID 54248555
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
methyl 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoate
CID 57385260
2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide
CID 135730522
methyl (2E)-3-cyano-2-[(2-hydroxybenzoyl)hydrazinylidene]-3-phenylpropanoate
CID 5388357
(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820728
N-(benzhydrylideneamino)-2-hydroxybenzamide
CID 24574931
diethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate
CID 3619400
2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
CID 9077909
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 8826111
2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide
CID 142204388

Frequently Asked Questions

What is the IUPAC name of dimethyl (2Z)-2-[(2-hydroxybenzoyl)hydrazinylidene]pentanedioate?
The IUPAC name of dimethyl (2Z)-2-[(2-hydroxybenzoyl)hydrazinylidene]pentanedioate (CID 43834949) is dimethyl (2Z)-2-[(2-hydroxybenzoyl)hydrazinylidene]pentanedioate.
What is the SMILES notation for dimethyl (2Z)-2-[(2-hydroxybenzoyl)hydrazinylidene]pentanedioate?
The canonical SMILES for dimethyl (2Z)-2-[(2-hydroxybenzoyl)hydrazinylidene]pentanedioate is COC(=O)CC/C(=N/NC(=O)c1ccccc1O)C(=O)OC.
What is the InChIKey of dimethyl (2Z)-2-[(2-hydroxybenzoyl)hydrazinylidene]pentanedioate?
The InChIKey is IBKHQGGPTZOYGV-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H16N2O6/c1-21-12(18)8-7-10(14(20)22-2)15-16-13(19)9-5-3-4-6-11(9)17/h3-6,17H,7-8H2,1-2H3,(H,16,19)/b15-10-.
What are the key properties of dimethyl (2Z)-2-[(2-hydroxybenzoyl)hydrazinylidene]pentanedioate?
dimethyl (2Z)-2-[(2-hydroxybenzoyl)hydrazinylidene]pentanedioate has a molecular weight of 308.29 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2Z)-2-[(2-hydroxybenzoyl)hydrazinylidene]pentanedioate is sourced from PubChem (CID 43834949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).