N-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide

C10H19N3O — CID 171523716

IUPACN-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide
SMILESC=C/C(CNC(=O)C(C)C)=N\N(C)C
InChIInChI=1S/C10H19N3O/c1-6-9(12-13(4)5)7-11-10(14)8(2)3/h6,8H,1,7H2,2-5H3,(H,11,14)/b12-9+
InChIKeyZAZFQBMHYNAFPZ-FMIVXFBMSA-N
MW197.28 g/mol
LogP0.86
Rot. Bonds5

About N-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide

N-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide (PubChem CID 171523716) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide
PubChem CID171523716
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide
SMILESC=C/C(CNC(=O)C(C)C)=N\N(C)C
InChIInChI=1S/C10H19N3O/c1-6-9(12-13(4)5)7-11-10(14)8(2)3/h6,8H,1,7H2,2-5H3,(H,11,14)/b12-9+
InChIKeyZAZFQBMHYNAFPZ-FMIVXFBMSA-N
XLogP0.86
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide?
The IUPAC name of N-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide (CID 171523716) is N-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide?
The canonical SMILES for N-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide is C=C/C(CNC(=O)C(C)C)=N\N(C)C.
What is the InChIKey of N-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide?
The InChIKey is ZAZFQBMHYNAFPZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H19N3O/c1-6-9(12-13(4)5)7-11-10(14)8(2)3/h6,8H,1,7H2,2-5H3,(H,11,14)/b12-9+.
What are the key properties of N-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide?
N-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide has a molecular weight of 197.28 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide is sourced from PubChem (CID 171523716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).