5,5-dimethylcyclooctane-1-carbohydrazide

C11H22N2O — CID 134203092

IUPAC5,5-dimethylcyclooctane-1-carbohydrazide
SMILESCC1(C)CCCC(C(=O)NN)CCC1
InChIInChI=1S/C11H22N2O/c1-11(2)7-3-5-9(6-4-8-11)10(14)13-12/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyJDIZXMKYRMGMFM-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.97
Rot. Bonds1

About 5,5-dimethylcyclooctane-1-carbohydrazide

5,5-dimethylcyclooctane-1-carbohydrazide (PubChem CID 134203092) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 5,5-dimethylcyclooctane-1-carbohydrazide.

Molecular Properties

Compound Name5,5-dimethylcyclooctane-1-carbohydrazide
PubChem CID134203092
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name5,5-dimethylcyclooctane-1-carbohydrazide
SMILESCC1(C)CCCC(C(=O)NN)CCC1
InChIInChI=1S/C11H22N2O/c1-11(2)7-3-5-9(6-4-8-11)10(14)13-12/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyJDIZXMKYRMGMFM-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.97
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 5,5-dimethylcyclooctane-1-carbohydrazide?
The IUPAC name of 5,5-dimethylcyclooctane-1-carbohydrazide (CID 134203092) is 5,5-dimethylcyclooctane-1-carbohydrazide.
What is the SMILES notation for 5,5-dimethylcyclooctane-1-carbohydrazide?
The canonical SMILES for 5,5-dimethylcyclooctane-1-carbohydrazide is CC1(C)CCCC(C(=O)NN)CCC1.
What is the InChIKey of 5,5-dimethylcyclooctane-1-carbohydrazide?
The InChIKey is JDIZXMKYRMGMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2)7-3-5-9(6-4-8-11)10(14)13-12/h9H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 5,5-dimethylcyclooctane-1-carbohydrazide?
5,5-dimethylcyclooctane-1-carbohydrazide has a molecular weight of 198.31 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylcyclooctane-1-carbohydrazide is sourced from PubChem (CID 134203092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).