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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Related Compounds

CID 134566878
CID 134566878
CID 143282267
CID 143282267
CID 146430026
CID 146430026
CID 147769981
CID 147769981
CID 170568844
CID 170568844
CID 170752068
CID 170752068
CID 170752129
CID 170752129
CID 170752207
CID 170752207
CID 173515650
CID 173515650
CID 175614047
CID 175614047
CID 178687030
CID 178687030
CID 170752069
CID 170752069

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).