[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine

C18H20N2O — CID 105262764

IUPAC[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
SMILESNNC(CC1Cc2ccccc21)C1COc2ccccc21
InChIInChI=1S/C18H20N2O/c19-20-17(10-13-9-12-5-1-2-6-14(12)13)16-11-21-18-8-4-3-7-15(16)18/h1-8,13,16-17,20H,9-11,19H2
InChIKeyDTPDJVGROJKXQK-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.72
Rot. Bonds4

About [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine

[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine (PubChem CID 105262764) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
PubChem CID105262764
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
SMILESNNC(CC1Cc2ccccc21)C1COc2ccccc21
InChIInChI=1S/C18H20N2O/c19-20-17(10-13-9-12-5-1-2-6-14(12)13)16-11-21-18-8-4-3-7-15(16)18/h1-8,13,16-17,20H,9-11,19H2
InChIKeyDTPDJVGROJKXQK-UHFFFAOYSA-N
XLogP2.72
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1,2-bis(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylhydrazine
CID 105224824
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105263001
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropylethyl]hydrazine
CID 105202555
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclobutylethyl]hydrazine
CID 105224519
[1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105262588
1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine
CID 105262710
[1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethylhex-3-ynyl]hydrazine
CID 114190772
[2-(3,5-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105412991
[1-(2,3-dihydro-1-benzofuran-3-yl)-3-methylhexyl]hydrazine
CID 105262689
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propan-2-ylhydrazine
CID 105201338
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanamine
CID 79218793
[1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbutyl]hydrazine
CID 105262585

Frequently Asked Questions

What is the IUPAC name of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine (CID 105262764) is [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine is NNC(CC1Cc2ccccc21)C1COc2ccccc21.
What is the InChIKey of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine?
The InChIKey is DTPDJVGROJKXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-20-17(10-13-9-12-5-1-2-6-14(12)13)16-11-21-18-8-4-3-7-15(16)18/h1-8,13,16-17,20H,9-11,19H2.
What are the key properties of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine?
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine has a molecular weight of 280.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105262764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).