bicyclo[3.3.1]nonane-1-carbohydrazide

C10H18N2O — CID 727237

IUPACbicyclo[3.3.1]nonane-1-carbohydrazide
SMILESNNC(=O)C12CCCC(CCC1)C2
InChIInChI=1S/C10H18N2O/c11-12-9(13)10-5-1-3-8(7-10)4-2-6-10/h8H,1-7,11H2,(H,12,13)
InChIKeyBDOHWWJFOJTQRK-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.34
Rot. Bonds1

About bicyclo[3.3.1]nonane-1-carbohydrazide

bicyclo[3.3.1]nonane-1-carbohydrazide (PubChem CID 727237) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is bicyclo[3.3.1]nonane-1-carbohydrazide.

Molecular Properties

Compound Namebicyclo[3.3.1]nonane-1-carbohydrazide
PubChem CID727237
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Namebicyclo[3.3.1]nonane-1-carbohydrazide
SMILESNNC(=O)C12CCCC(CCC1)C2
InChIInChI=1S/C10H18N2O/c11-12-9(13)10-5-1-3-8(7-10)4-2-6-10/h8H,1-7,11H2,(H,12,13)
InChIKeyBDOHWWJFOJTQRK-UHFFFAOYSA-N
XLogP1.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.34
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 bicyclo[3.3.1]nonane-1-carbohydrazide?
The IUPAC name of bicyclo[3.3.1]nonane-1-carbohydrazide (CID 727237) is bicyclo[3.3.1]nonane-1-carbohydrazide.
What is the SMILES notation for bicyclo[3.3.1]nonane-1-carbohydrazide?
The canonical SMILES for bicyclo[3.3.1]nonane-1-carbohydrazide is NNC(=O)C12CCCC(CCC1)C2.
What is the InChIKey of bicyclo[3.3.1]nonane-1-carbohydrazide?
The InChIKey is BDOHWWJFOJTQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c11-12-9(13)10-5-1-3-8(7-10)4-2-6-10/h8H,1-7,11H2,(H,12,13).
What are the key properties of bicyclo[3.3.1]nonane-1-carbohydrazide?
bicyclo[3.3.1]nonane-1-carbohydrazide has a molecular weight of 182.27 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.3.1]nonane-1-carbohydrazide is sourced from PubChem (CID 727237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).