[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]methylidenehydrazine

C12H16N2O3 — CID 168530644

IUPAC[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]methylidenehydrazine
SMILESNN=Cc1cccc(OCCC2OCCO2)c1
InChIInChI=1S/C12H16N2O3/c13-14-9-10-2-1-3-11(8-10)15-5-4-12-16-6-7-17-12/h1-3,8-9,12H,4-7,13H2
InChIKeyVQQVAYYNXYGGBQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.12
Rot. Bonds5

About [3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]methylidenehydrazine

[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]methylidenehydrazine (PubChem CID 168530644) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is [3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]methylidenehydrazine.

Molecular Properties

Compound Name[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]methylidenehydrazine
PubChem CID168530644
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]methylidenehydrazine
SMILESNN=Cc1cccc(OCCC2OCCO2)c1
InChIInChI=1S/C12H16N2O3/c13-14-9-10-2-1-3-11(8-10)15-5-4-12-16-6-7-17-12/h1-3,8-9,12H,4-7,13H2
InChIKeyVQQVAYYNXYGGBQ-UHFFFAOYSA-N
XLogP1.12
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(3-methanehydrazonoylphenoxy)-N,N-dimethylpropan-1-amine
CID 168529091
[3-(2-piperidin-1-ylethoxy)phenyl]methylidenehydrazine
CID 168530376
(3-phenylmethoxyphenyl)methylidenehydrazine
CID 23916805
2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane
CID 82091052
5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid
CID 168530565
1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628993
[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530136
[3-(1,3-dioxan-2-yl)phenyl]methylidenehydrazine
CID 168529970
2-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-1H-benzimidazole
CID 168554940
[3-(3,5-dichlorophenoxy)phenyl]methylidenehydrazine
CID 168529070
(3-pyridin-2-yloxyphenyl)methylidenehydrazine
CID 168530003
2-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574260

Frequently Asked Questions

What is the IUPAC name of [3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]methylidenehydrazine?
The IUPAC name of [3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]methylidenehydrazine (CID 168530644) is [3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]methylidenehydrazine.
What is the SMILES notation for [3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]methylidenehydrazine?
The canonical SMILES for [3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]methylidenehydrazine is NN=Cc1cccc(OCCC2OCCO2)c1.
What is the InChIKey of [3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]methylidenehydrazine?
The InChIKey is VQQVAYYNXYGGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-14-9-10-2-1-3-11(8-10)15-5-4-12-16-6-7-17-12/h1-3,8-9,12H,4-7,13H2.
What are the key properties of [3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]methylidenehydrazine?
[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]methylidenehydrazine has a molecular weight of 236.27 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]methylidenehydrazine is sourced from PubChem (CID 168530644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).