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

C11H14N2O2 — CID 168529970

IUPAC[3-(1,3-dioxan-2-yl)phenyl]methylidenehydrazine
SMILESNN=Cc1cccc(C2OCCCO2)c1
InChIInChI=1S/C11H14N2O2/c12-13-8-9-3-1-4-10(7-9)11-14-5-2-6-15-11/h1,3-4,7-8,11H,2,5-6,12H2
InChIKeyYUVCKPWNZKYJRH-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.41
Rot. Bonds2

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

[3-(1,3-dioxan-2-yl)phenyl]methylidenehydrazine (PubChem CID 168529970) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is [3-(1,3-dioxan-2-yl)phenyl]methylidenehydrazine.

Molecular Properties

Compound Name[3-(1,3-dioxan-2-yl)phenyl]methylidenehydrazine
PubChem CID168529970
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name[3-(1,3-dioxan-2-yl)phenyl]methylidenehydrazine
SMILESNN=Cc1cccc(C2OCCCO2)c1
InChIInChI=1S/C11H14N2O2/c12-13-8-9-3-1-4-10(7-9)11-14-5-2-6-15-11/h1,3-4,7-8,11H,2,5-6,12H2
InChIKeyYUVCKPWNZKYJRH-UHFFFAOYSA-N
XLogP1.41
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-dioxan-2-yl)phenyl]methylidenehydrazine?
The IUPAC name of [3-(1,3-dioxan-2-yl)phenyl]methylidenehydrazine (CID 168529970) is [3-(1,3-dioxan-2-yl)phenyl]methylidenehydrazine.
What is the SMILES notation for [3-(1,3-dioxan-2-yl)phenyl]methylidenehydrazine?
The canonical SMILES for [3-(1,3-dioxan-2-yl)phenyl]methylidenehydrazine is NN=Cc1cccc(C2OCCCO2)c1.
What is the InChIKey of [3-(1,3-dioxan-2-yl)phenyl]methylidenehydrazine?
The InChIKey is YUVCKPWNZKYJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-13-8-9-3-1-4-10(7-9)11-14-5-2-6-15-11/h1,3-4,7-8,11H,2,5-6,12H2.
What are the key properties of [3-(1,3-dioxan-2-yl)phenyl]methylidenehydrazine?
[3-(1,3-dioxan-2-yl)phenyl]methylidenehydrazine has a molecular weight of 206.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-dioxan-2-yl)phenyl]methylidenehydrazine is sourced from PubChem (CID 168529970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).