5-methylbicyclo[3.3.1]nonane-1-carbohydrazide

C11H20N2O — CID 2802845

IUPAC5-methylbicyclo[3.3.1]nonane-1-carbohydrazide
SMILESCC12CCCC(C(=O)NN)(CCC1)C2
InChIInChI=1S/C11H20N2O/c1-10-4-2-6-11(8-10,7-3-5-10)9(14)13-12/h2-8,12H2,1H3,(H,13,14)
InChIKeySETNTRQZAYZVJM-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.73
Rot. Bonds1

About 5-methylbicyclo[3.3.1]nonane-1-carbohydrazide

5-methylbicyclo[3.3.1]nonane-1-carbohydrazide (PubChem CID 2802845) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-methylbicyclo[3.3.1]nonane-1-carbohydrazide.

Molecular Properties

Compound Name5-methylbicyclo[3.3.1]nonane-1-carbohydrazide
PubChem CID2802845
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-methylbicyclo[3.3.1]nonane-1-carbohydrazide
SMILESCC12CCCC(C(=O)NN)(CCC1)C2
InChIInChI=1S/C11H20N2O/c1-10-4-2-6-11(8-10,7-3-5-10)9(14)13-12/h2-8,12H2,1H3,(H,13,14)
InChIKeySETNTRQZAYZVJM-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 5-methylbicyclo[3.3.1]nonane-1-carbohydrazide?
The IUPAC name of 5-methylbicyclo[3.3.1]nonane-1-carbohydrazide (CID 2802845) is 5-methylbicyclo[3.3.1]nonane-1-carbohydrazide.
What is the SMILES notation for 5-methylbicyclo[3.3.1]nonane-1-carbohydrazide?
The canonical SMILES for 5-methylbicyclo[3.3.1]nonane-1-carbohydrazide is CC12CCCC(C(=O)NN)(CCC1)C2.
What is the InChIKey of 5-methylbicyclo[3.3.1]nonane-1-carbohydrazide?
The InChIKey is SETNTRQZAYZVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10-4-2-6-11(8-10,7-3-5-10)9(14)13-12/h2-8,12H2,1H3,(H,13,14).
What are the key properties of 5-methylbicyclo[3.3.1]nonane-1-carbohydrazide?
5-methylbicyclo[3.3.1]nonane-1-carbohydrazide has a molecular weight of 196.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylbicyclo[3.3.1]nonane-1-carbohydrazide is sourced from PubChem (CID 2802845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).