3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate

C11H17N2O2- — CID 4632949

IUPAC3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate
SMILESCC12CCC(C(=O)[O-])(CC1=NN)C2(C)C
InChIInChI=1S/C11H18N2O2/c1-9(2)10(3)4-5-11(9,8(14)15)6-7(10)13-12/h4-6,12H2,1-3H3,(H,14,15)/p-1
InChIKeyRHFYQGSVOPZKPI-UHFFFAOYSA-M
MW209.27 g/mol
LogP0.27
Rot. Bonds1

About 3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate

3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate (PubChem CID 4632949) has the molecular formula C11H17N2O2- and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate.

Molecular Properties

Compound Name3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate
PubChem CID4632949
Molecular FormulaC11H17N2O2-
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate
SMILESCC12CCC(C(=O)[O-])(CC1=NN)C2(C)C
InChIInChI=1S/C11H18N2O2/c1-9(2)10(3)4-5-11(9,8(14)15)6-7(10)13-12/h4-6,12H2,1-3H3,(H,14,15)/p-1
InChIKeyRHFYQGSVOPZKPI-UHFFFAOYSA-M
XLogP0.27
TPSA78.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate?
The IUPAC name of 3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate (CID 4632949) is 3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate.
What is the SMILES notation for 3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate?
The canonical SMILES for 3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate is CC12CCC(C(=O)[O-])(CC1=NN)C2(C)C.
What is the InChIKey of 3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate?
The InChIKey is RHFYQGSVOPZKPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H18N2O2/c1-9(2)10(3)4-5-11(9,8(14)15)6-7(10)13-12/h4-6,12H2,1-3H3,(H,14,15)/p-1.
What are the key properties of 3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate?
3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate has a molecular weight of 209.27 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinylidene-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate is sourced from PubChem (CID 4632949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).