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

C17H15ClN2O — CID 105224798

IUPAC[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
SMILESNNC(c1cc2cccc(Cl)c2o1)C1Cc2ccccc21
InChIInChI=1S/C17H15ClN2O/c18-14-7-3-5-11-9-15(21-17(11)14)16(20-19)13-8-10-4-1-2-6-12(10)13/h1-7,9,13,16,20H,8,19H2
InChIKeyZQGZJCFFQXTNIM-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.93
Rot. Bonds3

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

[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine (PubChem CID 105224798) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
PubChem CID105224798
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
SMILESNNC(c1cc2cccc(Cl)c2o1)C1Cc2ccccc21
InChIInChI=1S/C17H15ClN2O/c18-14-7-3-5-11-9-15(21-17(11)14)16(20-19)13-8-10-4-1-2-6-12(10)13/h1-7,9,13,16,20H,8,19H2
InChIKeyZQGZJCFFQXTNIM-UHFFFAOYSA-N
XLogP3.93
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.93
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-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105224637
[(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine
CID 105229716
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine
CID 105397832
[(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
CID 107194873
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methyl]hydrazine
CID 105224671
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-chloro-1-benzofuran-2-yl)methanamine
CID 114728843
[(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-methylphenyl)methyl]hydrazine
CID 107103839
(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
(7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine
CID 114728828
[(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105339711
[(7-chloro-1-benzofuran-2-yl)-thiophen-2-ylmethyl]hydrazine
CID 105193697
1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
CID 103517192

Frequently Asked Questions

What is the IUPAC name of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine?
The IUPAC name of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine (CID 105224798) is [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine?
The canonical SMILES for [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine is NNC(c1cc2cccc(Cl)c2o1)C1Cc2ccccc21.
What is the InChIKey of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine?
The InChIKey is ZQGZJCFFQXTNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-14-7-3-5-11-9-15(21-17(11)14)16(20-19)13-8-10-4-1-2-6-12(10)13/h1-7,9,13,16,20H,8,19H2.
What are the key properties of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine?
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine has a molecular weight of 298.77 g/mol, XLogP of 3.93, 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-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105224798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).