N',N',5,5-tetramethyl-2,4-dioxohexanehydrazide

C10H18N2O3 — CID 139707468

IUPACN',N',5,5-tetramethyl-2,4-dioxohexanehydrazide
SMILESCN(C)NC(=O)C(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C10H18N2O3/c1-10(2,3)8(14)6-7(13)9(15)11-12(4)5/h6H2,1-5H3,(H,11,15)
InChIKeyBYQQDAOOLSYXAW-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.15
Rot. Bonds4

About N',N',5,5-tetramethyl-2,4-dioxohexanehydrazide

N',N',5,5-tetramethyl-2,4-dioxohexanehydrazide (PubChem CID 139707468) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N',N',5,5-tetramethyl-2,4-dioxohexanehydrazide.

Molecular Properties

Compound NameN',N',5,5-tetramethyl-2,4-dioxohexanehydrazide
PubChem CID139707468
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN',N',5,5-tetramethyl-2,4-dioxohexanehydrazide
SMILESCN(C)NC(=O)C(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C10H18N2O3/c1-10(2,3)8(14)6-7(13)9(15)11-12(4)5/h6H2,1-5H3,(H,11,15)
InChIKeyBYQQDAOOLSYXAW-UHFFFAOYSA-N
XLogP0.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N',1-N',2-N',2-N'-tetramethylethanedihydrazide
CID 7039174
calcium 2,2,6,6-tetramethylheptane-3,5-dione
CID 21192278
praseodymium;2,2,6,6-tetramethylheptane-3,5-dione
CID 139531007
calcium;hydride;2,2,6,6-tetramethylheptane-3,5-dione
CID 173276240
oxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione)
CID 88830247
5,5-dimethyl-N-morpholin-4-yl-2,4-dioxohexanamide
CID 139707460
N-benzyl-5,5-dimethyl-2,4-dioxohexanamide
CID 15445664
tris(2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid);yttrium
CID 154733258
hydride;rubidium(1+);2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid
CID 173289199
2,2,6,6-tetramethyl-5-methylideneheptan-3-one
CID 89173069
zinc bis(5,5-dimethylhexane-2,4-dione)
CID 134608015
5,5-dimethylhexane-2,4-dione;propan-2-one;zirconium
CID 174907853

Frequently Asked Questions

What is the IUPAC name of N',N',5,5-tetramethyl-2,4-dioxohexanehydrazide?
The IUPAC name of N',N',5,5-tetramethyl-2,4-dioxohexanehydrazide (CID 139707468) is N',N',5,5-tetramethyl-2,4-dioxohexanehydrazide.
What is the SMILES notation for N',N',5,5-tetramethyl-2,4-dioxohexanehydrazide?
The canonical SMILES for N',N',5,5-tetramethyl-2,4-dioxohexanehydrazide is CN(C)NC(=O)C(=O)CC(=O)C(C)(C)C.
What is the InChIKey of N',N',5,5-tetramethyl-2,4-dioxohexanehydrazide?
The InChIKey is BYQQDAOOLSYXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,3)8(14)6-7(13)9(15)11-12(4)5/h6H2,1-5H3,(H,11,15).
What are the key properties of N',N',5,5-tetramethyl-2,4-dioxohexanehydrazide?
N',N',5,5-tetramethyl-2,4-dioxohexanehydrazide has a molecular weight of 214.26 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',5,5-tetramethyl-2,4-dioxohexanehydrazide is sourced from PubChem (CID 139707468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).