N',N',5-trimethyl-4-oxohexanehydrazide

C9H18N2O2 — CID 59531474

IUPACN',N',5-trimethyl-4-oxohexanehydrazide
SMILESCC(C)C(=O)CCC(=O)NN(C)C
InChIInChI=1S/C9H18N2O2/c1-7(2)8(12)5-6-9(13)10-11(3)4/h7H,5-6H2,1-4H3,(H,10,13)
InChIKeyRBQJRKYDWVMGMI-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.58
Rot. Bonds5

About N',N',5-trimethyl-4-oxohexanehydrazide

N',N',5-trimethyl-4-oxohexanehydrazide (PubChem CID 59531474) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N',N',5-trimethyl-4-oxohexanehydrazide.

Molecular Properties

Compound NameN',N',5-trimethyl-4-oxohexanehydrazide
PubChem CID59531474
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN',N',5-trimethyl-4-oxohexanehydrazide
SMILESCC(C)C(=O)CCC(=O)NN(C)C
InChIInChI=1S/C9H18N2O2/c1-7(2)8(12)5-6-9(13)10-11(3)4/h7H,5-6H2,1-4H3,(H,10,13)
InChIKeyRBQJRKYDWVMGMI-UHFFFAOYSA-N
XLogP0.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N',5-trimethyl-4-oxohexanehydrazide?
The IUPAC name of N',N',5-trimethyl-4-oxohexanehydrazide (CID 59531474) is N',N',5-trimethyl-4-oxohexanehydrazide.
What is the SMILES notation for N',N',5-trimethyl-4-oxohexanehydrazide?
The canonical SMILES for N',N',5-trimethyl-4-oxohexanehydrazide is CC(C)C(=O)CCC(=O)NN(C)C.
What is the InChIKey of N',N',5-trimethyl-4-oxohexanehydrazide?
The InChIKey is RBQJRKYDWVMGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)8(12)5-6-9(13)10-11(3)4/h7H,5-6H2,1-4H3,(H,10,13).
What are the key properties of N',N',5-trimethyl-4-oxohexanehydrazide?
N',N',5-trimethyl-4-oxohexanehydrazide has a molecular weight of 186.25 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',5-trimethyl-4-oxohexanehydrazide is sourced from PubChem (CID 59531474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).