[3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine

C12H22N2O — CID 105221753

IUPAC[3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine
SMILESC=C(CC)CC(NN)C1CC2CCC1O2
InChIInChI=1S/C12H22N2O/c1-3-8(2)6-11(14-13)10-7-9-4-5-12(10)15-9/h9-12,14H,2-7,13H2,1H3
InChIKeyAOAOGQOQOPRLOP-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.74
Rot. Bonds5

About [3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine

[3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine (PubChem CID 105221753) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is [3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine.

Molecular Properties

Compound Name[3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine
PubChem CID105221753
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name[3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine
SMILESC=C(CC)CC(NN)C1CC2CCC1O2
InChIInChI=1S/C12H22N2O/c1-3-8(2)6-11(14-13)10-7-9-4-5-12(10)15-9/h9-12,14H,2-7,13H2,1H3
InChIKeyAOAOGQOQOPRLOP-UHFFFAOYSA-N
XLogP1.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.74
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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Frequently Asked Questions

What is the IUPAC name of [3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine?
The IUPAC name of [3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine (CID 105221753) is [3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine.
What is the SMILES notation for [3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine?
The canonical SMILES for [3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine is C=C(CC)CC(NN)C1CC2CCC1O2.
What is the InChIKey of [3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine?
The InChIKey is AOAOGQOQOPRLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-8(2)6-11(14-13)10-7-9-4-5-12(10)15-9/h9-12,14H,2-7,13H2,1H3.
What are the key properties of [3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine?
[3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine has a molecular weight of 210.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine is sourced from PubChem (CID 105221753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).