[(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine

C11H15ClN2O — CID 106694850

IUPAC[(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine
SMILESNNC(C1=CCCCC1)c1ccoc1Cl
InChIInChI=1S/C11H15ClN2O/c12-11-9(6-7-15-11)10(14-13)8-4-2-1-3-5-8/h4,6-7,10,14H,1-3,5,13H2
InChIKeyVAHDIJQYSLTFNE-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.94
Rot. Bonds3

About [(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine

[(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine (PubChem CID 106694850) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is [(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine
PubChem CID106694850
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name[(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine
SMILESNNC(C1=CCCCC1)c1ccoc1Cl
InChIInChI=1S/C11H15ClN2O/c12-11-9(6-7-15-11)10(14-13)8-4-2-1-3-5-8/h4,6-7,10,14H,1-3,5,13H2
InChIKeyVAHDIJQYSLTFNE-UHFFFAOYSA-N
XLogP2.94
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of [(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine?
The IUPAC name of [(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine (CID 106694850) is [(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine.
What is the SMILES notation for [(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine?
The canonical SMILES for [(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine is NNC(C1=CCCCC1)c1ccoc1Cl.
What is the InChIKey of [(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine?
The InChIKey is VAHDIJQYSLTFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-11-9(6-7-15-11)10(14-13)8-4-2-1-3-5-8/h4,6-7,10,14H,1-3,5,13H2.
What are the key properties of [(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine?
[(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine has a molecular weight of 226.71 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine is sourced from PubChem (CID 106694850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).