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

C18H20N2O — CID 105263001

IUPAC[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]hydrazine
SMILESNNC(CC1Cc2ccccc21)C1Cc2ccccc2O1
InChIInChI=1S/C18H20N2O/c19-20-16(10-14-9-12-5-1-3-7-15(12)14)18-11-13-6-2-4-8-17(13)21-18/h1-8,14,16,18,20H,9-11,19H2
InChIKeyZKCFGKBTYYHBFJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.55
Rot. Bonds4

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

[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]hydrazine (PubChem CID 105263001) 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-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]hydrazine
PubChem CID105263001
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-2-yl)ethyl]hydrazine
SMILESNNC(CC1Cc2ccccc21)C1Cc2ccccc2O1
InChIInChI=1S/C18H20N2O/c19-20-16(10-14-9-12-5-1-3-7-15(12)14)18-11-13-6-2-4-8-17(13)21-18/h1-8,14,16,18,20H,9-11,19H2
InChIKeyZKCFGKBTYYHBFJ-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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

[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105262764
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropylethyl]hydrazine
CID 105202555
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-cyclobutylethyl]hydrazine
CID 105224519
[1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutyl]hydrazine
CID 105262824
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propan-2-ylhydrazine
CID 105201338
[1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine
CID 105263013
1-(2,3-dihydro-1-benzofuran-2-yl)heptylhydrazine
CID 105262982
[1-(2,3-dihydro-1-benzofuran-2-yl)-3-thiophen-3-ylpropyl]hydrazine
CID 105262963
[1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105263048
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-yl]hydrazine
CID 105319265
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105319371

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-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]hydrazine (CID 105263001) is [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-2-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-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]hydrazine is NNC(CC1Cc2ccccc21)C1Cc2ccccc2O1.
What is the InChIKey of [2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]hydrazine?
The InChIKey is ZKCFGKBTYYHBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-20-16(10-14-9-12-5-1-3-7-15(12)14)18-11-13-6-2-4-8-17(13)21-18/h1-8,14,16,18,20H,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-2-yl)ethyl]hydrazine?
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]hydrazine has a molecular weight of 280.37 g/mol, XLogP of 2.55, 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-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105263001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).