[1-benzofuran-2-yl-[(1E)-cycloocten-1-yl]methyl]hydrazine

C17H22N2O — CID 106648877

IUPAC[1-benzofuran-2-yl-[(1E)-cycloocten-1-yl]methyl]hydrazine
SMILESNNC(/C1=C/CCCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C17H22N2O/c18-19-17(13-8-4-2-1-3-5-9-13)16-12-14-10-6-7-11-15(14)20-16/h6-8,10-12,17,19H,1-5,9,18H2/b13-8+
InChIKeyGYYQPZVSOVMFCA-MDWZMJQESA-N
MW270.38 g/mol
LogP4.22
Rot. Bonds3

About [1-benzofuran-2-yl-[(1E)-cycloocten-1-yl]methyl]hydrazine

[1-benzofuran-2-yl-[(1E)-cycloocten-1-yl]methyl]hydrazine (PubChem CID 106648877) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [1-benzofuran-2-yl-[(1E)-cycloocten-1-yl]methyl]hydrazine.

Molecular Properties

Compound Name[1-benzofuran-2-yl-[(1E)-cycloocten-1-yl]methyl]hydrazine
PubChem CID106648877
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[1-benzofuran-2-yl-[(1E)-cycloocten-1-yl]methyl]hydrazine
SMILESNNC(/C1=C/CCCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C17H22N2O/c18-19-17(13-8-4-2-1-3-5-9-13)16-12-14-10-6-7-11-15(14)20-16/h6-8,10-12,17,19H,1-5,9,18H2/b13-8+
InChIKeyGYYQPZVSOVMFCA-MDWZMJQESA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[cyclohepten-1-yl(naphthalen-2-yl)methyl]hydrazine
CID 106648805
[(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine
CID 106650019
[1-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine
CID 106649457
[cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine
CID 106650256
[1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105218310
[cyclohepten-1-yl-(3-methylphenyl)methyl]hydrazine
CID 106648636
[1-benzofuran-2-yl-(2,3-difluorophenyl)methyl]hydrazine
CID 105218365
[(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106648562
[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]hydrazine
CID 106648892
[cyclohepten-1-yl-(2-ethylphenyl)methyl]hydrazine
CID 106650270
[1-benzofuran-2-yl-(2,3-dimethylphenyl)methyl]hydrazine
CID 105218327
[1-benzofuran-2-yl(1-benzothiophen-2-yl)methyl]hydrazine
CID 105337766

Frequently Asked Questions

What is the IUPAC name of [1-benzofuran-2-yl-[(1E)-cycloocten-1-yl]methyl]hydrazine?
The IUPAC name of [1-benzofuran-2-yl-[(1E)-cycloocten-1-yl]methyl]hydrazine (CID 106648877) is [1-benzofuran-2-yl-[(1E)-cycloocten-1-yl]methyl]hydrazine.
What is the SMILES notation for [1-benzofuran-2-yl-[(1E)-cycloocten-1-yl]methyl]hydrazine?
The canonical SMILES for [1-benzofuran-2-yl-[(1E)-cycloocten-1-yl]methyl]hydrazine is NNC(/C1=C/CCCCCC1)c1cc2ccccc2o1.
What is the InChIKey of [1-benzofuran-2-yl-[(1E)-cycloocten-1-yl]methyl]hydrazine?
The InChIKey is GYYQPZVSOVMFCA-MDWZMJQESA-N. The full InChI is InChI=1S/C17H22N2O/c18-19-17(13-8-4-2-1-3-5-9-13)16-12-14-10-6-7-11-15(14)20-16/h6-8,10-12,17,19H,1-5,9,18H2/b13-8+.
What are the key properties of [1-benzofuran-2-yl-[(1E)-cycloocten-1-yl]methyl]hydrazine?
[1-benzofuran-2-yl-[(1E)-cycloocten-1-yl]methyl]hydrazine has a molecular weight of 270.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzofuran-2-yl-[(1E)-cycloocten-1-yl]methyl]hydrazine is sourced from PubChem (CID 106648877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).