[(4-bromothiophen-3-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine

C11H15BrN2OS — CID 105221527

IUPAC[(4-bromothiophen-3-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
SMILESNNC(c1cscc1Br)C1CC2CCC1O2
InChIInChI=1S/C11H15BrN2OS/c12-9-5-16-4-8(9)11(14-13)7-3-6-1-2-10(7)15-6/h4-7,10-11,14H,1-3,13H2
InChIKeyNGLIYSTVDROZHC-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.58
Rot. Bonds3

About [(4-bromothiophen-3-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine

[(4-bromothiophen-3-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine (PubChem CID 105221527) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is [(4-bromothiophen-3-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromothiophen-3-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
PubChem CID105221527
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name[(4-bromothiophen-3-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
SMILESNNC(c1cscc1Br)C1CC2CCC1O2
InChIInChI=1S/C11H15BrN2OS/c12-9-5-16-4-8(9)11(14-13)7-3-6-1-2-10(7)15-6/h4-7,10-11,14H,1-3,13H2
InChIKeyNGLIYSTVDROZHC-UHFFFAOYSA-N
XLogP2.58
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.58
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

[(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
CID 107516382
[2,3-dihydrofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
CID 102654154
[7-oxabicyclo[2.2.1]heptan-2-yl-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105221774
[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105221719
1-(3-chlorothiophen-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 107359746
[1-(4-bromothiophen-3-yl)-2-cyclopropylpropyl]hydrazine
CID 105322583
[7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105221602
[2-(2-methyl-1,3-thiazol-4-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221717
[(4-bromothiophen-3-yl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244304
N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 64990064
N-[(4-bromo-3-chloro-2-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
CID 106762534
[2-cyclopropyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221479

Frequently Asked Questions

What is the IUPAC name of [(4-bromothiophen-3-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine?
The IUPAC name of [(4-bromothiophen-3-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine (CID 105221527) is [(4-bromothiophen-3-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromothiophen-3-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromothiophen-3-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine is NNC(c1cscc1Br)C1CC2CCC1O2.
What is the InChIKey of [(4-bromothiophen-3-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine?
The InChIKey is NGLIYSTVDROZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c12-9-5-16-4-8(9)11(14-13)7-3-6-1-2-10(7)15-6/h4-7,10-11,14H,1-3,13H2.
What are the key properties of [(4-bromothiophen-3-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine?
[(4-bromothiophen-3-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine has a molecular weight of 303.23 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromothiophen-3-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105221527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).