[2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine

C17H22N2O — CID 105266605

IUPAC[2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
SMILESCc1cccc2cc(C(NN)C3CC4CCC3C4)oc12
InChIInChI=1S/C17H22N2O/c1-10-3-2-4-13-9-15(20-17(10)13)16(19-18)14-8-11-5-6-12(14)7-11/h2-4,9,11-12,14,16,19H,5-8,18H2,1H3
InChIKeyGFOLEPOVVZDIEY-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.68
Rot. Bonds3

About [2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine

[2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine (PubChem CID 105266605) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
PubChem CID105266605
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
SMILESCc1cccc2cc(C(NN)C3CC4CCC3C4)oc12
InChIInChI=1S/C17H22N2O/c1-10-3-2-4-13-9-15(20-17(10)13)16(19-18)14-8-11-5-6-12(14)7-11/h2-4,9,11-12,14,16,19H,5-8,18H2,1H3
InChIKeyGFOLEPOVVZDIEY-UHFFFAOYSA-N
XLogP3.68
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.68
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

[(2,2-dimethylcyclopropyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 107005862
[2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 105266606
[2-bicyclo[2.2.1]heptanyl-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130879
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105224637
[2-bicyclo[2.2.1]heptanyl(naphthalen-1-yl)methyl]hydrazine
CID 105266833
[2-cyclopropyl-1-(7-methyl-1-benzofuran-2-yl)propyl]hydrazine
CID 105338377
[2-bicyclo[2.2.1]heptanyl-(2,6-dimethoxyphenyl)methyl]hydrazine
CID 105266791
1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114729233
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine
CID 114729277
[2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105266667
1-(2,2-dimethylcyclopropyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107005057
N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105045609

Frequently Asked Questions

What is the IUPAC name of [2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The IUPAC name of [2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine (CID 105266605) is [2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The canonical SMILES for [2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine is Cc1cccc2cc(C(NN)C3CC4CCC3C4)oc12.
What is the InChIKey of [2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The InChIKey is GFOLEPOVVZDIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-10-3-2-4-13-9-15(20-17(10)13)16(19-18)14-8-11-5-6-12(14)7-11/h2-4,9,11-12,14,16,19H,5-8,18H2,1H3.
What are the key properties of [2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine?
[2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine has a molecular weight of 270.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105266605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).