[(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine

C14H17ClN2O2 — CID 105229716

IUPAC[(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine
SMILESNNC(c1cc2cccc(Cl)c2o1)C1CCOCC1
InChIInChI=1S/C14H17ClN2O2/c15-11-3-1-2-10-8-12(19-14(10)11)13(17-16)9-4-6-18-7-5-9/h1-3,8-9,13,17H,4-7,16H2
InChIKeyGUQMTZMOYAXQAB-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.02
Rot. Bonds3

About [(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine

[(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine (PubChem CID 105229716) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is [(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine
PubChem CID105229716
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name[(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine
SMILESNNC(c1cc2cccc(Cl)c2o1)C1CCOCC1
InChIInChI=1S/C14H17ClN2O2/c15-11-3-1-2-10-8-12(19-14(10)11)13(17-16)9-4-6-18-7-5-9/h1-3,8-9,13,17H,4-7,16H2
InChIKeyGUQMTZMOYAXQAB-UHFFFAOYSA-N
XLogP3.02
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 105224798
[(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
CID 107194873
[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105204500
(7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine
CID 114728828
[(5-fluoro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine
CID 105229802
[1-benzofuran-2-yl(oxolan-3-yl)methyl]hydrazine
CID 105218333
(7-chloro-1-benzofuran-2-yl)-cyclopentylmethanol
CID 114723689
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105048647
[(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105397846
[1-benzofuran-2-yl(cyclobutyl)methyl]hydrazine
CID 105218447
(7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol
CID 114726690
[(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 106859916

Frequently Asked Questions

What is the IUPAC name of [(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine?
The IUPAC name of [(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine (CID 105229716) is [(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine?
The canonical SMILES for [(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine is NNC(c1cc2cccc(Cl)c2o1)C1CCOCC1.
What is the InChIKey of [(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine?
The InChIKey is GUQMTZMOYAXQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-11-3-1-2-10-8-12(19-14(10)11)13(17-16)9-4-6-18-7-5-9/h1-3,8-9,13,17H,4-7,16H2.
What are the key properties of [(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine?
[(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine has a molecular weight of 280.75 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine is sourced from PubChem (CID 105229716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).