[ethanehydrazonoyloxy(phenyl)methyl] ethanehydrazonate

C11H16N4O2 — CID 123622969

IUPAC[ethanehydrazonoyloxy(phenyl)methyl] ethanehydrazonate
SMILESCC(=NN)OC(OC(C)=NN)c1ccccc1
InChIInChI=1S/C11H16N4O2/c1-8(14-12)16-11(17-9(2)15-13)10-6-4-3-5-7-10/h3-7,11H,12-13H2,1-2H3
InChIKeyDLGWVVMUTUIROY-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.30
Rot. Bonds3

About [ethanehydrazonoyloxy(phenyl)methyl] ethanehydrazonate

[ethanehydrazonoyloxy(phenyl)methyl] ethanehydrazonate (PubChem CID 123622969) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is [ethanehydrazonoyloxy(phenyl)methyl] ethanehydrazonate.

Molecular Properties

Compound Name[ethanehydrazonoyloxy(phenyl)methyl] ethanehydrazonate
PubChem CID123622969
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name[ethanehydrazonoyloxy(phenyl)methyl] ethanehydrazonate
SMILESCC(=NN)OC(OC(C)=NN)c1ccccc1
InChIInChI=1S/C11H16N4O2/c1-8(14-12)16-11(17-9(2)15-13)10-6-4-3-5-7-10/h3-7,11H,12-13H2,1-2H3
InChIKeyDLGWVVMUTUIROY-UHFFFAOYSA-N
XLogP1.30
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Diethoxymethyl)benzene
CID 69884
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
Benzene, (triethoxymethyl)-
CID 74268
((2,2-Dimethoxyethoxy)methyl)benzene
CID 7021458
p-(Diethoxymethyl)toluene
CID 75469
(Dibutoxymethyl)benzene
CID 219171
[Bis(3-methylbutoxy)methyl]benzene
CID 3024081
Benzyloxyacetaldehyde diethyl acetal
CID 4321487
Benzene, ((1-ethoxyethoxy)methyl)-
CID 6455283
2,5,7,10-Tetraoxaundecane, 6-phenyl-
CID 3085461
Dipropoxymethylbenzene
CID 230527
2-[[4-(Diethoxymethyl)phenyl]methylidene]propanedinitrile
CID 2819441

Frequently Asked Questions

What is the IUPAC name of [ethanehydrazonoyloxy(phenyl)methyl] ethanehydrazonate?
The IUPAC name of [ethanehydrazonoyloxy(phenyl)methyl] ethanehydrazonate (CID 123622969) is [ethanehydrazonoyloxy(phenyl)methyl] ethanehydrazonate.
What is the SMILES notation for [ethanehydrazonoyloxy(phenyl)methyl] ethanehydrazonate?
The canonical SMILES for [ethanehydrazonoyloxy(phenyl)methyl] ethanehydrazonate is CC(=NN)OC(OC(C)=NN)c1ccccc1.
What is the InChIKey of [ethanehydrazonoyloxy(phenyl)methyl] ethanehydrazonate?
The InChIKey is DLGWVVMUTUIROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8(14-12)16-11(17-9(2)15-13)10-6-4-3-5-7-10/h3-7,11H,12-13H2,1-2H3.
What are the key properties of [ethanehydrazonoyloxy(phenyl)methyl] ethanehydrazonate?
[ethanehydrazonoyloxy(phenyl)methyl] ethanehydrazonate has a molecular weight of 236.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [ethanehydrazonoyloxy(phenyl)methyl] ethanehydrazonate is sourced from PubChem (CID 123622969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).