2-(2-ethoxy-5-hydrazinylphenyl)acetonitrile

C10H13N3O — CID 131191413

IUPAC2-(2-ethoxy-5-hydrazinylphenyl)acetonitrile
SMILESCCOc1ccc(NN)cc1CC#N
InChIInChI=1S/C10H13N3O/c1-2-14-10-4-3-9(13-12)7-8(10)5-6-11/h3-4,7,13H,2,5,12H2,1H3
InChIKeySGVZALKCAOZXSQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.44
Rot. Bonds4

About 2-(2-ethoxy-5-hydrazinylphenyl)acetonitrile

2-(2-ethoxy-5-hydrazinylphenyl)acetonitrile (PubChem CID 131191413) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(2-ethoxy-5-hydrazinylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-ethoxy-5-hydrazinylphenyl)acetonitrile
PubChem CID131191413
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(2-ethoxy-5-hydrazinylphenyl)acetonitrile
SMILESCCOc1ccc(NN)cc1CC#N
InChIInChI=1S/C10H13N3O/c1-2-14-10-4-3-9(13-12)7-8(10)5-6-11/h3-4,7,13H,2,5,12H2,1H3
InChIKeySGVZALKCAOZXSQ-UHFFFAOYSA-N
XLogP1.44
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.44
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'}

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Related Compounds

2-[2-(cyanomethyl)-4,5-diethoxyphenyl]acetonitrile
CID 102359044
2-ethoxy-5-hydrazinylbenzaldehyde
CID 131214024
[3-ethoxy-4-(4-hydrazinylphenyl)phenyl]hydrazine
CID 19908639
(3-ethoxy-4-nitrophenyl)hydrazine
CID 63670732
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
[3-(chloromethyl)-4-methoxyphenyl]hydrazine
CID 130950896
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile
CID 67282069
6-amino-3-ethoxy-2-methylbenzonitrile
CID 82014812
2-(3,9-diethoxyphenazin-2-yl)acetonitrile
CID 10494934
2-(3,4-diethoxyanilino)benzonitrile
CID 28601733
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
CID 61324347

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-5-hydrazinylphenyl)acetonitrile?
The IUPAC name of 2-(2-ethoxy-5-hydrazinylphenyl)acetonitrile (CID 131191413) is 2-(2-ethoxy-5-hydrazinylphenyl)acetonitrile.
What is the SMILES notation for 2-(2-ethoxy-5-hydrazinylphenyl)acetonitrile?
The canonical SMILES for 2-(2-ethoxy-5-hydrazinylphenyl)acetonitrile is CCOc1ccc(NN)cc1CC#N.
What is the InChIKey of 2-(2-ethoxy-5-hydrazinylphenyl)acetonitrile?
The InChIKey is SGVZALKCAOZXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-14-10-4-3-9(13-12)7-8(10)5-6-11/h3-4,7,13H,2,5,12H2,1H3.
What are the key properties of 2-(2-ethoxy-5-hydrazinylphenyl)acetonitrile?
2-(2-ethoxy-5-hydrazinylphenyl)acetonitrile has a molecular weight of 191.23 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-5-hydrazinylphenyl)acetonitrile is sourced from PubChem (CID 131191413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).