N-(1-hydrazinyl-3,3-dimethyl-1-oxobutan-2-yl)acetamide

C8H17N3O2 — CID 91324094

IUPACN-(1-hydrazinyl-3,3-dimethyl-1-oxobutan-2-yl)acetamide
SMILESCC(=O)NC(C(=O)NN)C(C)(C)C
InChIInChI=1S/C8H17N3O2/c1-5(12)10-6(7(13)11-9)8(2,3)4/h6H,9H2,1-4H3,(H,10,12)(H,11,13)
InChIKeyNHILRZZDWAWXSJ-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.47
Rot. Bonds2

About N-(1-hydrazinyl-3,3-dimethyl-1-oxobutan-2-yl)acetamide

N-(1-hydrazinyl-3,3-dimethyl-1-oxobutan-2-yl)acetamide (PubChem CID 91324094) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(1-hydrazinyl-3,3-dimethyl-1-oxobutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydrazinyl-3,3-dimethyl-1-oxobutan-2-yl)acetamide
PubChem CID91324094
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN-(1-hydrazinyl-3,3-dimethyl-1-oxobutan-2-yl)acetamide
SMILESCC(=O)NC(C(=O)NN)C(C)(C)C
InChIInChI=1S/C8H17N3O2/c1-5(12)10-6(7(13)11-9)8(2,3)4/h6H,9H2,1-4H3,(H,10,12)(H,11,13)
InChIKeyNHILRZZDWAWXSJ-UHFFFAOYSA-N
XLogP-0.47
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-(1-hydrazinyl-3,3-dimethyl-1-oxobutan-2-yl)acetamide?
The IUPAC name of N-(1-hydrazinyl-3,3-dimethyl-1-oxobutan-2-yl)acetamide (CID 91324094) is N-(1-hydrazinyl-3,3-dimethyl-1-oxobutan-2-yl)acetamide.
What is the SMILES notation for N-(1-hydrazinyl-3,3-dimethyl-1-oxobutan-2-yl)acetamide?
The canonical SMILES for N-(1-hydrazinyl-3,3-dimethyl-1-oxobutan-2-yl)acetamide is CC(=O)NC(C(=O)NN)C(C)(C)C.
What is the InChIKey of N-(1-hydrazinyl-3,3-dimethyl-1-oxobutan-2-yl)acetamide?
The InChIKey is NHILRZZDWAWXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-5(12)10-6(7(13)11-9)8(2,3)4/h6H,9H2,1-4H3,(H,10,12)(H,11,13).
What are the key properties of N-(1-hydrazinyl-3,3-dimethyl-1-oxobutan-2-yl)acetamide?
N-(1-hydrazinyl-3,3-dimethyl-1-oxobutan-2-yl)acetamide has a molecular weight of 187.24 g/mol, XLogP of -0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydrazinyl-3,3-dimethyl-1-oxobutan-2-yl)acetamide is sourced from PubChem (CID 91324094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).