1-(2-chlorofuran-3-yl)but-3-enylhydrazine

C8H11ClN2O — CID 106694221

IUPAC1-(2-chlorofuran-3-yl)but-3-enylhydrazine
SMILESC=CCC(NN)c1ccoc1Cl
InChIInChI=1S/C8H11ClN2O/c1-2-3-7(11-10)6-4-5-12-8(6)9/h2,4-5,7,11H,1,3,10H2
InChIKeyCMUVLKDHNXEDPC-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.01
Rot. Bonds4

About 1-(2-chlorofuran-3-yl)but-3-enylhydrazine

1-(2-chlorofuran-3-yl)but-3-enylhydrazine (PubChem CID 106694221) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)but-3-enylhydrazine
PubChem CID106694221
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name1-(2-chlorofuran-3-yl)but-3-enylhydrazine
SMILESC=CCC(NN)c1ccoc1Cl
InChIInChI=1S/C8H11ClN2O/c1-2-3-7(11-10)6-4-5-12-8(6)9/h2,4-5,7,11H,1,3,10H2
InChIKeyCMUVLKDHNXEDPC-UHFFFAOYSA-N
XLogP2.01
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.01
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-(2-chlorofuran-3-yl)-2-phenylethyl]hydrazine
CID 106694144
1-(2-chlorofuran-3-yl)octylhydrazine
CID 106694263
1-(2-chlorofuran-3-yl)nonylhydrazine
CID 106694271
[1-(2-chlorofuran-3-yl)-2-(furan-3-yl)ethyl]hydrazine
CID 106694685
1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine
CID 105289666
1-(2-chloro-4-pyridinyl)but-3-enylhydrazine
CID 105252780
1-phenylbut-3-enylhydrazine
CID 105199312
1-(2-methyl-3-pyridinyl)but-3-enylhydrazine
CID 105289607
1-(4-chloro-3-fluorophenyl)but-3-enylhydrazine
CID 107996762
1-quinolin-2-ylbut-3-enylhydrazine
CID 105218718
1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine
CID 105218181
[2-(3-bromo-5-fluorophenyl)-1-(2-chlorofuran-3-yl)ethyl]hydrazine
CID 106694609

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)but-3-enylhydrazine?
The IUPAC name of 1-(2-chlorofuran-3-yl)but-3-enylhydrazine (CID 106694221) is 1-(2-chlorofuran-3-yl)but-3-enylhydrazine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)but-3-enylhydrazine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)but-3-enylhydrazine is C=CCC(NN)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)but-3-enylhydrazine?
The InChIKey is CMUVLKDHNXEDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-2-3-7(11-10)6-4-5-12-8(6)9/h2,4-5,7,11H,1,3,10H2.
What are the key properties of 1-(2-chlorofuran-3-yl)but-3-enylhydrazine?
1-(2-chlorofuran-3-yl)but-3-enylhydrazine has a molecular weight of 186.64 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)but-3-enylhydrazine is sourced from PubChem (CID 106694221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).