[1-(5-chlorofuran-2-yl)-3-methylbut-2-enyl]hydrazine

C9H13ClN2O — CID 106694554

IUPAC[1-(5-chlorofuran-2-yl)-3-methylbut-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1ccc(Cl)o1
InChIInChI=1S/C9H13ClN2O/c1-6(2)5-7(12-11)8-3-4-9(10)13-8/h3-5,7,12H,11H2,1-2H3
InChIKeyNLGGUOGYKWJVQK-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.40
Rot. Bonds3

About [1-(5-chlorofuran-2-yl)-3-methylbut-2-enyl]hydrazine

[1-(5-chlorofuran-2-yl)-3-methylbut-2-enyl]hydrazine (PubChem CID 106694554) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is [1-(5-chlorofuran-2-yl)-3-methylbut-2-enyl]hydrazine.

Molecular Properties

Compound Name[1-(5-chlorofuran-2-yl)-3-methylbut-2-enyl]hydrazine
PubChem CID106694554
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name[1-(5-chlorofuran-2-yl)-3-methylbut-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1ccc(Cl)o1
InChIInChI=1S/C9H13ClN2O/c1-6(2)5-7(12-11)8-3-4-9(10)13-8/h3-5,7,12H,11H2,1-2H3
InChIKeyNLGGUOGYKWJVQK-UHFFFAOYSA-N
XLogP2.40
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.40
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

[1-(5-bromofuran-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105319933
1-(5-chlorofuran-2-yl)-3-methyl-N-propylbut-2-en-1-amine
CID 106692487
1-(5-chlorofuran-2-yl)-3-methylbut-2-en-1-amine
CID 106692484
[1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105319774
[1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine
CID 105280246
[1-(2-chloro-3-methylphenyl)-3-methylbut-2-enyl]hydrazine
CID 105319889
1-(5-chlorofuran-2-yl)propylhydrazine
CID 106694131
[3-methyl-1-(4-methylphenyl)but-2-enyl]hydrazine
CID 105194488
[1-(3-chloro-4-pyridinyl)-3-methylbut-2-enyl]hydrazine
CID 105319871
[1-(4-fluorophenyl)-3-methylbut-2-enyl]hydrazine
CID 105192857
[1-(5-chlorofuran-2-yl)-2-cyclopropylethyl]hydrazine
CID 106694459
methyl 2-amino-2-(5-chlorofuran-2-yl)acetate
CID 130062270

Frequently Asked Questions

What is the IUPAC name of [1-(5-chlorofuran-2-yl)-3-methylbut-2-enyl]hydrazine?
The IUPAC name of [1-(5-chlorofuran-2-yl)-3-methylbut-2-enyl]hydrazine (CID 106694554) is [1-(5-chlorofuran-2-yl)-3-methylbut-2-enyl]hydrazine.
What is the SMILES notation for [1-(5-chlorofuran-2-yl)-3-methylbut-2-enyl]hydrazine?
The canonical SMILES for [1-(5-chlorofuran-2-yl)-3-methylbut-2-enyl]hydrazine is CC(C)=CC(NN)c1ccc(Cl)o1.
What is the InChIKey of [1-(5-chlorofuran-2-yl)-3-methylbut-2-enyl]hydrazine?
The InChIKey is NLGGUOGYKWJVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-6(2)5-7(12-11)8-3-4-9(10)13-8/h3-5,7,12H,11H2,1-2H3.
What are the key properties of [1-(5-chlorofuran-2-yl)-3-methylbut-2-enyl]hydrazine?
[1-(5-chlorofuran-2-yl)-3-methylbut-2-enyl]hydrazine has a molecular weight of 200.67 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chlorofuran-2-yl)-3-methylbut-2-enyl]hydrazine is sourced from PubChem (CID 106694554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).