[1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine

C13H20N2O2 — CID 105321323

IUPAC[1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine
SMILESCCOCC(NN)C1OCCc2ccccc21
InChIInChI=1S/C13H20N2O2/c1-2-16-9-12(15-14)13-11-6-4-3-5-10(11)7-8-17-13/h3-6,12-13,15H,2,7-9,14H2,1H3
InChIKeyRRPNUWCFVZNJAU-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.17
Rot. Bonds5

About [1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine

[1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine (PubChem CID 105321323) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine
PubChem CID105321323
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine
SMILESCCOCC(NN)C1OCCc2ccccc21
InChIInChI=1S/C13H20N2O2/c1-2-16-9-12(15-14)13-11-6-4-3-5-10(11)7-8-17-13/h3-6,12-13,15H,2,7-9,14H2,1H3
InChIKeyRRPNUWCFVZNJAU-UHFFFAOYSA-N
XLogP1.17
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.17
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'}

Analyze [1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxy-N-ethylethanamine
CID 105165027
1-(3,4-dihydro-1H-isochromen-1-yl)pentylhydrazine
CID 105293861
[1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylpentyl]hydrazine
CID 105294298
1-(3,4-dihydro-1H-isochromen-1-yl)but-3-enylhydrazine
CID 105289693
[1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105284785
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-ethoxyethyl]hydrazine
CID 105224705
1-(3,4-dihydro-1H-isochromen-1-yl)hex-5-ynylhydrazine
CID 105333523
1-(3,4-dihydro-1H-isochromen-1-yl)propan-1-amine
CID 546897
(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
CID 919561
1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine
CID 12536020
1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine
CID 105170411
1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylbut-3-yn-1-amine
CID 105077265

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine?
The IUPAC name of [1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine (CID 105321323) is [1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine.
What is the SMILES notation for [1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine?
The canonical SMILES for [1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine is CCOCC(NN)C1OCCc2ccccc21.
What is the InChIKey of [1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine?
The InChIKey is RRPNUWCFVZNJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-16-9-12(15-14)13-11-6-4-3-5-10(11)7-8-17-13/h3-6,12-13,15H,2,7-9,14H2,1H3.
What are the key properties of [1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine?
[1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine has a molecular weight of 236.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine is sourced from PubChem (CID 105321323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).