N-[(1E,3Z)-4-(methylideneamino)buta-1,3-dienyl]acetamide

C7H10N2O — CID 143328534

IUPACN-[(1E,3Z)-4-(methylideneamino)buta-1,3-dienyl]acetamide
SMILESC=N/C=C\C=C\NC(C)=O
InChIInChI=1S/C7H10N2O/c1-7(10)9-6-4-3-5-8-2/h3-6H,2H2,1H3,(H,9,10)/b5-3-,6-4+
InChIKeyHGBMZFXVCZQTKM-CIIODKQPSA-N
MW138.17 g/mol
LogP0.85
Rot. Bonds3

About N-[(1E,3Z)-4-(methylideneamino)buta-1,3-dienyl]acetamide

N-[(1E,3Z)-4-(methylideneamino)buta-1,3-dienyl]acetamide (PubChem CID 143328534) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is N-[(1E,3Z)-4-(methylideneamino)buta-1,3-dienyl]acetamide.

Molecular Properties

Compound NameN-[(1E,3Z)-4-(methylideneamino)buta-1,3-dienyl]acetamide
PubChem CID143328534
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC NameN-[(1E,3Z)-4-(methylideneamino)buta-1,3-dienyl]acetamide
SMILESC=N/C=C\C=C\NC(C)=O
InChIInChI=1S/C7H10N2O/c1-7(10)9-6-4-3-5-8-2/h3-6H,2H2,1H3,(H,9,10)/b5-3-,6-4+
InChIKeyHGBMZFXVCZQTKM-CIIODKQPSA-N
XLogP0.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-oxoprop-1-enyl]acetamide
CID 12509734
N-[(Z)-prop-1-enyl]acetamide
CID 5325885
N-[(E)-3,3-dimethylbut-1-enyl]acetamide
CID 55299513
N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide
CID 144540768
N-[(Z)-2-chloroethenyl]acetamide
CID 55298580
silver (E)-2-acetamidoethenethiolate
CID 12620554
but-3-en-2-one;N-ethenylacetamide
CID 139410839
(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-amine
CID 89331751
N-[(E)-3-methylbut-1-enyl]acetamide
CID 12626390
(2E,4Z)-2-methyl-5-(methylideneamino)-N'-methylsulfonylpenta-2,4-dienehydrazide
CID 167180070
(E)-3-acetamido-N,N-dimethylprop-2-enamide
CID 131238300
[(2Z,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]boronic acid
CID 146760706

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-4-(methylideneamino)buta-1,3-dienyl]acetamide?
The IUPAC name of N-[(1E,3Z)-4-(methylideneamino)buta-1,3-dienyl]acetamide (CID 143328534) is N-[(1E,3Z)-4-(methylideneamino)buta-1,3-dienyl]acetamide.
What is the SMILES notation for N-[(1E,3Z)-4-(methylideneamino)buta-1,3-dienyl]acetamide?
The canonical SMILES for N-[(1E,3Z)-4-(methylideneamino)buta-1,3-dienyl]acetamide is C=N/C=C\C=C\NC(C)=O.
What is the InChIKey of N-[(1E,3Z)-4-(methylideneamino)buta-1,3-dienyl]acetamide?
The InChIKey is HGBMZFXVCZQTKM-CIIODKQPSA-N. The full InChI is InChI=1S/C7H10N2O/c1-7(10)9-6-4-3-5-8-2/h3-6H,2H2,1H3,(H,9,10)/b5-3-,6-4+.
What are the key properties of N-[(1E,3Z)-4-(methylideneamino)buta-1,3-dienyl]acetamide?
N-[(1E,3Z)-4-(methylideneamino)buta-1,3-dienyl]acetamide has a molecular weight of 138.17 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-4-(methylideneamino)buta-1,3-dienyl]acetamide is sourced from PubChem (CID 143328534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).