(E)-2-acetyl-N,N-dimethylbut-2-enimidamide

C8H14N2O — CID 91362771

IUPAC(E)-2-acetyl-N,N-dimethylbut-2-enimidamide
SMILES[H]/N=C(C(=C\C)/C(C)=O)\N(C)C
InChIInChI=1S/C8H14N2O/c1-5-7(6(2)11)8(9)10(3)4/h5,9H,1-4H3/b7-5-,9-8-
InChIKeyAHMXWAWFKWYXFJ-PJHABFGRSA-N
MW154.21 g/mol
LogP1.06
Rot. Bonds2

About (E)-2-acetyl-N,N-dimethylbut-2-enimidamide

(E)-2-acetyl-N,N-dimethylbut-2-enimidamide (PubChem CID 91362771) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (E)-2-acetyl-N,N-dimethylbut-2-enimidamide.

Molecular Properties

Compound Name(E)-2-acetyl-N,N-dimethylbut-2-enimidamide
PubChem CID91362771
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(E)-2-acetyl-N,N-dimethylbut-2-enimidamide
SMILES[H]/N=C(C(=C\C)/C(C)=O)\N(C)C
InChIInChI=1S/C8H14N2O/c1-5-7(6(2)11)8(9)10(3)4/h5,9H,1-4H3/b7-5-,9-8-
InChIKeyAHMXWAWFKWYXFJ-PJHABFGRSA-N
XLogP1.06
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-methylidenebut-3-enimidamide
CID 178095439
3-ethylidene-5-hydroxyhexane-2,4-dione
CID 88902854
N-acetyl-N-[(Z)-2-cyanobut-2-enimidoyl]acetamide
CID 171501539
3-iminobutan-2-one;hydrochloride
CID 91594122
2-[ethanimidoyl(methyl)amino]propanoic acid
CID 59020920
(E)-4-imino-N,N-dimethylpent-2-en-2-amine
CID 123583193
N-[1-(dimethylamino)ethylidene]ethanimidamide
CID 88533812
3-(dimethylaminomethylidene)-1,1-difluoropentane-2,4-dione
CID 126740750
(Z,3Z)-3-ethylidene-4-methyl-5-(methylamino)hex-4-en-2-one
CID 143036535
2-(ditert-butylamino)-2-iminoacetic acid
CID 87352369
diethylamino 2-acetylbut-2-enoate
CID 174392869
N-[1-(dimethylamino)ethylidene]-2,2,2-trifluoroethanimidamide
CID 154723464

Frequently Asked Questions

What is the IUPAC name of (E)-2-acetyl-N,N-dimethylbut-2-enimidamide?
The IUPAC name of (E)-2-acetyl-N,N-dimethylbut-2-enimidamide (CID 91362771) is (E)-2-acetyl-N,N-dimethylbut-2-enimidamide.
What is the SMILES notation for (E)-2-acetyl-N,N-dimethylbut-2-enimidamide?
The canonical SMILES for (E)-2-acetyl-N,N-dimethylbut-2-enimidamide is [H]/N=C(C(=C\C)/C(C)=O)\N(C)C.
What is the InChIKey of (E)-2-acetyl-N,N-dimethylbut-2-enimidamide?
The InChIKey is AHMXWAWFKWYXFJ-PJHABFGRSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5-7(6(2)11)8(9)10(3)4/h5,9H,1-4H3/b7-5-,9-8-.
What are the key properties of (E)-2-acetyl-N,N-dimethylbut-2-enimidamide?
(E)-2-acetyl-N,N-dimethylbut-2-enimidamide has a molecular weight of 154.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-acetyl-N,N-dimethylbut-2-enimidamide is sourced from PubChem (CID 91362771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).