[3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-2-enyl]hydrazine

C11H20N2O — CID 105221781

IUPAC[3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-2-enyl]hydrazine
SMILESCC(C)=CC(NN)C1CC2CCC1O2
InChIInChI=1S/C11H20N2O/c1-7(2)5-10(13-12)9-6-8-3-4-11(9)14-8/h5,8-11,13H,3-4,6,12H2,1-2H3
InChIKeyXIYRPBIGIBKWIB-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.35
Rot. Bonds3

About [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-2-enyl]hydrazine

[3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-2-enyl]hydrazine (PubChem CID 105221781) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-2-enyl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-2-enyl]hydrazine
PubChem CID105221781
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name[3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-2-enyl]hydrazine
SMILESCC(C)=CC(NN)C1CC2CCC1O2
InChIInChI=1S/C11H20N2O/c1-7(2)5-10(13-12)9-6-8-3-4-11(9)14-8/h5,8-11,13H,3-4,6,12H2,1-2H3
InChIKeyXIYRPBIGIBKWIB-UHFFFAOYSA-N
XLogP1.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.35
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

2-Methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine
CID 79179041
3-Methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-2-en-1-amine
CID 79179042
N,3-dimethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-2-en-1-amine
CID 79179256
N-ethyl-3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-2-en-1-amine
CID 79179488
3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylbut-2-en-1-amine
CID 79179689
[3,4-dihydro-2H-pyran-6-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
CID 102649979
[2,3-Dihydrofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
CID 102654154
[3,4-dihydro-2H-pyran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
CID 105221511
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)hex-5-enylhydrazine
CID 105221518
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)prop-2-enylhydrazine
CID 105221520
[4-Methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pent-4-enyl]hydrazine
CID 105221601
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)pent-4-enylhydrazine
CID 105221616

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-2-enyl]hydrazine?
The IUPAC name of [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-2-enyl]hydrazine (CID 105221781) is [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-2-enyl]hydrazine.
What is the SMILES notation for [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-2-enyl]hydrazine?
The canonical SMILES for [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-2-enyl]hydrazine is CC(C)=CC(NN)C1CC2CCC1O2.
What is the InChIKey of [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-2-enyl]hydrazine?
The InChIKey is XIYRPBIGIBKWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7(2)5-10(13-12)9-6-8-3-4-11(9)14-8/h5,8-11,13H,3-4,6,12H2,1-2H3.
What are the key properties of [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-2-enyl]hydrazine?
[3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-2-enyl]hydrazine has a molecular weight of 196.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)but-2-enyl]hydrazine is sourced from PubChem (CID 105221781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).