[1-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine

C16H20N2O — CID 106649457

IUPAC[1-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine
SMILESNNC(C1=CCCCCC1)c1coc2ccccc12
InChIInChI=1S/C16H20N2O/c17-18-16(12-7-3-1-2-4-8-12)14-11-19-15-10-6-5-9-13(14)15/h5-7,9-11,16,18H,1-4,8,17H2
InChIKeyDIBWIPWSMLNVRR-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.83
Rot. Bonds3

About [1-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine

[1-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine (PubChem CID 106649457) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is [1-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine
PubChem CID106649457
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name[1-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine
SMILESNNC(C1=CCCCCC1)c1coc2ccccc12
InChIInChI=1S/C16H20N2O/c17-18-16(12-7-3-1-2-4-8-12)14-11-19-15-10-6-5-9-13(14)15/h5-7,9-11,16,18H,1-4,8,17H2
InChIKeyDIBWIPWSMLNVRR-UHFFFAOYSA-N
XLogP3.83
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.83
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

N-[1-benzofuran-3-yl-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106654255
[cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine
CID 106650256
[(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106694850
[1-benzofuran-2-yl-[(1E)-cycloocten-1-yl]methyl]hydrazine
CID 106648877
[cyclohepten-1-yl-(2-ethylphenyl)methyl]hydrazine
CID 106650270
[1-benzofuran-3-yl(thiophen-2-yl)methyl]hydrazine
CID 105262414
[cyclohepten-1-yl(naphthalen-2-yl)methyl]hydrazine
CID 106648805
[(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106649679
[1-benzofuran-3-yl(cyclohexyl)methyl]hydrazine
CID 105262439
[(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine
CID 106650019
[cyclohepten-1-yl-(3-methylphenyl)methyl]hydrazine
CID 106648636
1-(1-benzofuran-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 113370643

Frequently Asked Questions

What is the IUPAC name of [1-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine?
The IUPAC name of [1-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine (CID 106649457) is [1-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine.
What is the SMILES notation for [1-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine?
The canonical SMILES for [1-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine is NNC(C1=CCCCCC1)c1coc2ccccc12.
What is the InChIKey of [1-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine?
The InChIKey is DIBWIPWSMLNVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-18-16(12-7-3-1-2-4-8-12)14-11-19-15-10-6-5-9-13(14)15/h5-7,9-11,16,18H,1-4,8,17H2.
What are the key properties of [1-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine?
[1-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine has a molecular weight of 256.35 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine is sourced from PubChem (CID 106649457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).