N-[(E,1Z)-1-[(Z)-ethylidenehydrazinylidene]but-2-en-2-yl]-2,2-dimethylpropanamide

C11H19N3O — CID 138722404

IUPACN-[(E,1Z)-1-[(Z)-ethylidenehydrazinylidene]but-2-en-2-yl]-2,2-dimethylpropanamide
SMILESC/C=N\N=C/C(=C\C)NC(=O)C(C)(C)C
InChIInChI=1S/C11H19N3O/c1-6-9(8-13-12-7-2)14-10(15)11(3,4)5/h6-8H,1-5H3,(H,14,15)/b9-6+,12-7-,13-8-
InChIKeyGYSWIQJATNTTLX-MZMWKKCBSA-N
MW209.29 g/mol
LogP2.13
Rot. Bonds3

About N-[(E,1Z)-1-[(Z)-ethylidenehydrazinylidene]but-2-en-2-yl]-2,2-dimethylpropanamide

N-[(E,1Z)-1-[(Z)-ethylidenehydrazinylidene]but-2-en-2-yl]-2,2-dimethylpropanamide (PubChem CID 138722404) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(E,1Z)-1-[(Z)-ethylidenehydrazinylidene]but-2-en-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(E,1Z)-1-[(Z)-ethylidenehydrazinylidene]but-2-en-2-yl]-2,2-dimethylpropanamide
PubChem CID138722404
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(E,1Z)-1-[(Z)-ethylidenehydrazinylidene]but-2-en-2-yl]-2,2-dimethylpropanamide
SMILESC/C=N\N=C/C(=C\C)NC(=O)C(C)(C)C
InChIInChI=1S/C11H19N3O/c1-6-9(8-13-12-7-2)14-10(15)11(3,4)5/h6-8H,1-5H3,(H,14,15)/b9-6+,12-7-,13-8-
InChIKeyGYSWIQJATNTTLX-MZMWKKCBSA-N
XLogP2.13
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.13
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-[(E,1Z)-1-[(Z)-ethylidenehydrazinylidene]but-2-en-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(E,1Z)-1-[(Z)-ethylidenehydrazinylidene]but-2-en-2-yl]-2,2-dimethylpropanamide (CID 138722404) is N-[(E,1Z)-1-[(Z)-ethylidenehydrazinylidene]but-2-en-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(E,1Z)-1-[(Z)-ethylidenehydrazinylidene]but-2-en-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(E,1Z)-1-[(Z)-ethylidenehydrazinylidene]but-2-en-2-yl]-2,2-dimethylpropanamide is C/C=N\N=C/C(=C\C)NC(=O)C(C)(C)C.
What is the InChIKey of N-[(E,1Z)-1-[(Z)-ethylidenehydrazinylidene]but-2-en-2-yl]-2,2-dimethylpropanamide?
The InChIKey is GYSWIQJATNTTLX-MZMWKKCBSA-N. The full InChI is InChI=1S/C11H19N3O/c1-6-9(8-13-12-7-2)14-10(15)11(3,4)5/h6-8H,1-5H3,(H,14,15)/b9-6+,12-7-,13-8-.
What are the key properties of N-[(E,1Z)-1-[(Z)-ethylidenehydrazinylidene]but-2-en-2-yl]-2,2-dimethylpropanamide?
N-[(E,1Z)-1-[(Z)-ethylidenehydrazinylidene]but-2-en-2-yl]-2,2-dimethylpropanamide has a molecular weight of 209.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,1Z)-1-[(Z)-ethylidenehydrazinylidene]but-2-en-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 138722404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).