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

C17H18N2O — CID 105224868

IUPAC[7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
SMILESNNC(c1ccc2c(c1)CCO2)C1Cc2ccccc21
InChIInChI=1S/C17H18N2O/c18-19-17(15-10-11-3-1-2-4-14(11)15)13-5-6-16-12(9-13)7-8-20-16/h1-6,9,15,17,19H,7-8,10,18H2
InChIKeyBXCHZNJJLUFRAI-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.47
Rot. Bonds3

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

[7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine (PubChem CID 105224868) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is [7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
PubChem CID105224868
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name[7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
SMILESNNC(c1ccc2c(c1)CCO2)C1Cc2ccccc21
InChIInChI=1S/C17H18N2O/c18-19-17(15-10-11-3-1-2-4-14(11)15)13-5-6-16-12(9-13)7-8-20-16/h1-6,9,15,17,19H,7-8,10,18H2
InChIKeyBXCHZNJJLUFRAI-UHFFFAOYSA-N
XLogP2.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.47
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

7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 66394364
5-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(bromo)methyl]-2,3-dihydro-1-benzofuran
CID 66396358
[2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232601
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 105003509
[2,3-dihydro-1-benzofuran-5-yl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105333925
[2,3-dihydro-1-benzofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261360
[(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105211193
[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]hydrazine
CID 105333859
[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215845
2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 61086355
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methyl]hydrazine
CID 105224671
[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxypropyl]hydrazine
CID 105247108

Frequently Asked Questions

What is the IUPAC name of [7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine?
The IUPAC name of [7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine (CID 105224868) is [7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine.
What is the SMILES notation for [7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine?
The canonical SMILES for [7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine is NNC(c1ccc2c(c1)CCO2)C1Cc2ccccc21.
What is the InChIKey of [7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine?
The InChIKey is BXCHZNJJLUFRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-19-17(15-10-11-3-1-2-4-14(11)15)13-5-6-16-12(9-13)7-8-20-16/h1-6,9,15,17,19H,7-8,10,18H2.
What are the key properties of [7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine?
[7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine has a molecular weight of 266.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine is sourced from PubChem (CID 105224868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).