[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazine

C13H18N2O2 — CID 168529344

IUPAC[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazine
SMILESNN=Cc1cccc(COCC2CCCO2)c1
InChIInChI=1S/C13H18N2O2/c14-15-8-11-3-1-4-12(7-11)9-16-10-13-5-2-6-17-13/h1,3-4,7-8,13H,2,5-6,9-10,14H2
InChIKeyLYPBRVJFBRYFLP-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.67
Rot. Bonds5

About [3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazine

[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazine (PubChem CID 168529344) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazine.

Molecular Properties

Compound Name[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazine
PubChem CID168529344
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazine
SMILESNN=Cc1cccc(COCC2CCCO2)c1
InChIInChI=1S/C13H18N2O2/c14-15-8-11-3-1-4-12(7-11)9-16-10-13-5-2-6-17-13/h1,3-4,7-8,13H,2,5-6,9-10,14H2
InChIKeyLYPBRVJFBRYFLP-UHFFFAOYSA-N
XLogP1.67
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.67
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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Related Compounds

2-[(3-fluorophenyl)methoxymethyl]oxolane
CID 91656930
2-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574240
4-methyl-N-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617353
bis((3-fluorophenyl)methanol);(2S)-2-[(3-fluorophenyl)methoxymethyl]oxolane
CID 142540594
3-(oxan-2-ylmethoxymethyl)benzohydrazide
CID 55212613
4-[[(2S)-oxolan-2-yl]methoxymethyl]benzaldehyde
CID 97294037
2-chloro-6-(oxolan-2-ylmethoxymethyl)pyridine
CID 79240930
(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide
CID 94111035
4-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24707627
2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane
CID 54970562
[3-(1,3-dioxan-2-yl)phenyl]methylidenehydrazine
CID 168529970
N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide
CID 96562652

Frequently Asked Questions

What is the IUPAC name of [3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazine?
The IUPAC name of [3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazine (CID 168529344) is [3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazine.
What is the SMILES notation for [3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazine?
The canonical SMILES for [3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazine is NN=Cc1cccc(COCC2CCCO2)c1.
What is the InChIKey of [3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazine?
The InChIKey is LYPBRVJFBRYFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-15-8-11-3-1-4-12(7-11)9-16-10-13-5-2-6-17-13/h1,3-4,7-8,13H,2,5-6,9-10,14H2.
What are the key properties of [3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazine?
[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazine has a molecular weight of 234.30 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazine is sourced from PubChem (CID 168529344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).