N'-tert-butyl-3,3-dimethyl-2-oxobutanehydrazide

C10H20N2O2 — CID 118361977

IUPACN'-tert-butyl-3,3-dimethyl-2-oxobutanehydrazide
SMILESCC(C)(C)NNC(=O)C(=O)C(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-9(2,3)7(13)8(14)11-12-10(4,5)6/h12H,1-6H3,(H,11,14)
InChIKeySATMWSSUPHOEMF-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.02
Rot. Bonds2

About N'-tert-butyl-3,3-dimethyl-2-oxobutanehydrazide

N'-tert-butyl-3,3-dimethyl-2-oxobutanehydrazide (PubChem CID 118361977) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N'-tert-butyl-3,3-dimethyl-2-oxobutanehydrazide.

Molecular Properties

Compound NameN'-tert-butyl-3,3-dimethyl-2-oxobutanehydrazide
PubChem CID118361977
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN'-tert-butyl-3,3-dimethyl-2-oxobutanehydrazide
SMILESCC(C)(C)NNC(=O)C(=O)C(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-9(2,3)7(13)8(14)11-12-10(4,5)6/h12H,1-6H3,(H,11,14)
InChIKeySATMWSSUPHOEMF-UHFFFAOYSA-N
XLogP1.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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 N'-tert-butyl-3,3-dimethyl-2-oxobutanehydrazide?
The IUPAC name of N'-tert-butyl-3,3-dimethyl-2-oxobutanehydrazide (CID 118361977) is N'-tert-butyl-3,3-dimethyl-2-oxobutanehydrazide.
What is the SMILES notation for N'-tert-butyl-3,3-dimethyl-2-oxobutanehydrazide?
The canonical SMILES for N'-tert-butyl-3,3-dimethyl-2-oxobutanehydrazide is CC(C)(C)NNC(=O)C(=O)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-3,3-dimethyl-2-oxobutanehydrazide?
The InChIKey is SATMWSSUPHOEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(2,3)7(13)8(14)11-12-10(4,5)6/h12H,1-6H3,(H,11,14).
What are the key properties of N'-tert-butyl-3,3-dimethyl-2-oxobutanehydrazide?
N'-tert-butyl-3,3-dimethyl-2-oxobutanehydrazide has a molecular weight of 200.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3,3-dimethyl-2-oxobutanehydrazide is sourced from PubChem (CID 118361977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).