1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine

C11H14N2O2 — CID 105315555

IUPAC1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1ccc(OC)cc1OC
InChIInChI=1S/C11H14N2O2/c1-4-10(13-12)9-6-5-8(14-2)7-11(9)15-3/h1,5-7,10,13H,12H2,2-3H3
InChIKeyMVLHGUSCUWCQCL-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.84
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine

1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine (PubChem CID 105315555) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine
PubChem CID105315555
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1ccc(OC)cc1OC
InChIInChI=1S/C11H14N2O2/c1-4-10(13-12)9-6-5-8(14-2)7-11(9)15-3/h1,5-7,10,13H,12H2,2-3H3
InChIKeyMVLHGUSCUWCQCL-UHFFFAOYSA-N
XLogP0.84
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,4,5-trimethoxyphenyl)prop-2-ynylhydrazine
CID 105315476
1-(2-methoxy-5-methylphenyl)prop-2-ynylhydrazine
CID 105315472
[1-(2,4-dimethoxyphenyl)-2,3-dimethylbutyl]hydrazine
CID 105304556
[1-(2,4-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine
CID 105203197
2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile
CID 43151527
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65381166
[1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310306
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
[(2,4-dimethoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210736
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(2,4-dimethoxyphenyl)ethanethiol
CID 43124104

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine (CID 105315555) is 1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine is C#CC(NN)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine?
The InChIKey is MVLHGUSCUWCQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-4-10(13-12)9-6-5-8(14-2)7-11(9)15-3/h1,5-7,10,13H,12H2,2-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine?
1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine has a molecular weight of 206.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine is sourced from PubChem (CID 105315555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).