methyl 4-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]hydrazinylidene]methyl]benzoate

C15H18N2O5 — CID 762041

IUPACmethyl 4-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNC(=O)CC2(C)OCCO2)cc1
InChIInChI=1S/C15H18N2O5/c1-15(21-7-8-22-15)9-13(18)17-16-10-11-3-5-12(6-4-11)14(19)20-2/h3-6,10H,7-9H2,1-2H3,(H,17,18)
InChIKeyIAZBAOZHUJSYGM-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.08
Rot. Bonds5

About methyl 4-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]hydrazinylidene]methyl]benzoate

methyl 4-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]hydrazinylidene]methyl]benzoate (PubChem CID 762041) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 4-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]hydrazinylidene]methyl]benzoate
PubChem CID762041
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Namemethyl 4-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNC(=O)CC2(C)OCCO2)cc1
InChIInChI=1S/C15H18N2O5/c1-15(21-7-8-22-15)9-13(18)17-16-10-11-3-5-12(6-4-11)14(19)20-2/h3-6,10H,7-9H2,1-2H3,(H,17,18)
InChIKeyIAZBAOZHUJSYGM-UHFFFAOYSA-N
XLogP1.08
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
CID 5394099
N-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
CID 1282390
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
CID 136713309
methyl 4-[(Z)-(hexadecanoylhydrazinylidene)methyl]benzoate
CID 98298248
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5392256
methyl 4-[(Z)-[[4-(4-fluoroanilino)-4-oxobutanoyl]hydrazinylidene]methyl]benzoate
CID 6300359
methyl 4-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]benzoate
CID 4599912
methyl 4-[(Z)-[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]benzoate
CID 5401590
methyl 4-[[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate
CID 3105043
methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 2303785
methyl 4-[(Z)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazinylidene]methyl]benzoate
CID 5400623
methyl 4-[[3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanoylhydrazinylidene]methyl]benzoate
CID 1405159

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]hydrazinylidene]methyl]benzoate (CID 762041) is methyl 4-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]hydrazinylidene]methyl]benzoate is COC(=O)c1ccc(C=NNC(=O)CC2(C)OCCO2)cc1.
What is the InChIKey of methyl 4-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is IAZBAOZHUJSYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-15(21-7-8-22-15)9-13(18)17-16-10-11-3-5-12(6-4-11)14(19)20-2/h3-6,10H,7-9H2,1-2H3,(H,17,18).
What are the key properties of methyl 4-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]hydrazinylidene]methyl]benzoate?
methyl 4-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 306.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 762041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).