N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide

C10H19N3O — CID 171523740

IUPACN-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide
SMILESC=C/C(CNC(C)=O)=N\N(C)C(C)C
InChIInChI=1S/C10H19N3O/c1-6-10(7-11-9(4)14)12-13(5)8(2)3/h6,8H,1,7H2,2-5H3,(H,11,14)/b12-10+
InChIKeyLFZLFKMRVXGKCV-ZRDIBKRKSA-N
MW197.28 g/mol
LogP1.00
Rot. Bonds5

About N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide

N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide (PubChem CID 171523740) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide
PubChem CID171523740
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide
SMILESC=C/C(CNC(C)=O)=N\N(C)C(C)C
InChIInChI=1S/C10H19N3O/c1-6-10(7-11-9(4)14)12-13(5)8(2)3/h6,8H,1,7H2,2-5H3,(H,11,14)/b12-10+
InChIKeyLFZLFKMRVXGKCV-ZRDIBKRKSA-N
XLogP1.00
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 ≤ 51.00
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

(2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide;ethane
CID 177229974
(2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide
CID 177230000
(2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide
CID 89057134
(2E)-2-[ethyl(methyl)hydrazinylidene]-N-methylbut-3-enamide
CID 145062592
N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide
CID 171523312
N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide;molecular hydrogen
CID 171523476
N-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide
CID 171523716
ethane;N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide
CID 171523739
ethane;2-methyl-N-[(2E)-2-(methylhydrazinylidene)but-3-enyl]propanamide
CID 172383927
(2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide;ethane
CID 177229999
2-Ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-one
CID 82442161
6-[(Butan-2-ylamino)methyl]-2-ethylpyridazin-3-one
CID 82442166

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide?
The IUPAC name of N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide (CID 171523740) is N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide.
What is the SMILES notation for N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide?
The canonical SMILES for N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide is C=C/C(CNC(C)=O)=N\N(C)C(C)C.
What is the InChIKey of N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide?
The InChIKey is LFZLFKMRVXGKCV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H19N3O/c1-6-10(7-11-9(4)14)12-13(5)8(2)3/h6,8H,1,7H2,2-5H3,(H,11,14)/b12-10+.
What are the key properties of N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide?
N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide has a molecular weight of 197.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide is sourced from PubChem (CID 171523740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).