(1S)-1-cyclohexyl-1-hydrazinyl-3-methylbutan-2-one

C11H22N2O — CID 70332169

IUPAC(1S)-1-cyclohexyl-1-hydrazinyl-3-methylbutan-2-one
SMILESCC(C)C(=O)[C@@H](NN)C1CCCCC1
InChIInChI=1S/C11H22N2O/c1-8(2)11(14)10(13-12)9-6-4-3-5-7-9/h8-10,13H,3-7,12H2,1-2H3/t10-/m0/s1
InChIKeyXAQVUPKWCLZPCV-JTQLQIEISA-N
MW198.31 g/mol
LogP1.62
Rot. Bonds4

About (1S)-1-cyclohexyl-1-hydrazinyl-3-methylbutan-2-one

(1S)-1-cyclohexyl-1-hydrazinyl-3-methylbutan-2-one (PubChem CID 70332169) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-1-hydrazinyl-3-methylbutan-2-one.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-1-hydrazinyl-3-methylbutan-2-one
PubChem CID70332169
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(1S)-1-cyclohexyl-1-hydrazinyl-3-methylbutan-2-one
SMILESCC(C)C(=O)[C@@H](NN)C1CCCCC1
InChIInChI=1S/C11H22N2O/c1-8(2)11(14)10(13-12)9-6-4-3-5-7-9/h8-10,13H,3-7,12H2,1-2H3/t10-/m0/s1
InChIKeyXAQVUPKWCLZPCV-JTQLQIEISA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (1S)-1-cyclohexyl-1-hydrazinyl-3-methylbutan-2-one?
The IUPAC name of (1S)-1-cyclohexyl-1-hydrazinyl-3-methylbutan-2-one (CID 70332169) is (1S)-1-cyclohexyl-1-hydrazinyl-3-methylbutan-2-one.
What is the SMILES notation for (1S)-1-cyclohexyl-1-hydrazinyl-3-methylbutan-2-one?
The canonical SMILES for (1S)-1-cyclohexyl-1-hydrazinyl-3-methylbutan-2-one is CC(C)C(=O)[C@@H](NN)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-1-hydrazinyl-3-methylbutan-2-one?
The InChIKey is XAQVUPKWCLZPCV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)11(14)10(13-12)9-6-4-3-5-7-9/h8-10,13H,3-7,12H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-1-hydrazinyl-3-methylbutan-2-one?
(1S)-1-cyclohexyl-1-hydrazinyl-3-methylbutan-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-1-hydrazinyl-3-methylbutan-2-one is sourced from PubChem (CID 70332169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).