N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]acetamide

C8H14N2O — CID 143564797

IUPACN-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]acetamide
SMILESC=C/C(=C\N(C)C)NC(C)=O
InChIInChI=1S/C8H14N2O/c1-5-8(6-10(3)4)9-7(2)11/h5-6H,1H2,2-4H3,(H,9,11)/b8-6+
InChIKeyRDZAUHBMIALQHS-SOFGYWHQSA-N
MW154.21 g/mol
LogP0.71
Rot. Bonds3

About N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]acetamide

N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]acetamide (PubChem CID 143564797) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]acetamide
PubChem CID143564797
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]acetamide
SMILESC=C/C(=C\N(C)C)NC(C)=O
InChIInChI=1S/C8H14N2O/c1-5-8(6-10(3)4)9-7(2)11/h5-6H,1H2,2-4H3,(H,9,11)/b8-6+
InChIKeyRDZAUHBMIALQHS-SOFGYWHQSA-N
XLogP0.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(3E)-3-fluoro-4-(prop-2-enylamino)buta-1,3-dien-2-yl]acetamide
CID 164097767
N,N,N'-triacetylpropylene-1,2-diamine
CID 146681464
1-(2,6-dimethyl-1H-pyrazin-4-yl)ethanone
CID 73556760
N-(1,2-dihydropyridin-5-yl)acetamide
CID 23047672
(E)-4-(dimethylamino)-N-prop-1-en-2-ylbut-2-enamide
CID 88239774
N-[(3Z,5E)-5-(methylamino)hepta-1,3,5-trien-2-yl]acetamide
CID 88356988
N-[(E)-3-aminoprop-2-enyl]acetamide
CID 88796899
N-[(E)-4-(prop-1-en-2-ylamino)but-2-enyl]acetamide
CID 89227881
N-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide
CID 89341013
N-[4-(methylideneamino)buta-1,3-dien-2-yl]acetamide
CID 91435828
N-(1,2-dihydropyridin-4-yl)acetamide
CID 121306850
N-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]acetamide
CID 122679488

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]acetamide?
The IUPAC name of N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]acetamide (CID 143564797) is N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]acetamide.
What is the SMILES notation for N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]acetamide?
The canonical SMILES for N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]acetamide is C=C/C(=C\N(C)C)NC(C)=O.
What is the InChIKey of N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]acetamide?
The InChIKey is RDZAUHBMIALQHS-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5-8(6-10(3)4)9-7(2)11/h5-6H,1H2,2-4H3,(H,9,11)/b8-6+.
What are the key properties of N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]acetamide?
N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]acetamide has a molecular weight of 154.21 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]acetamide is sourced from PubChem (CID 143564797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).