N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide

C9H14N2O — CID 144540768

IUPACN-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide
SMILESC=N/C=C\C(=C/C)CNC(C)=O
InChIInChI=1S/C9H14N2O/c1-4-9(5-6-10-3)7-11-8(2)12/h4-6H,3,7H2,1-2H3,(H,11,12)/b6-5-,9-4+
InChIKeyGPDKOGSIKPHCPN-CXBDEZGUSA-N
MW166.22 g/mol
LogP1.28
Rot. Bonds4

About N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide

N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide (PubChem CID 144540768) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide
PubChem CID144540768
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide
SMILESC=N/C=C\C(=C/C)CNC(C)=O
InChIInChI=1S/C9H14N2O/c1-4-9(5-6-10-3)7-11-8(2)12/h4-6H,3,7H2,1-2H3,(H,11,12)/b6-5-,9-4+
InChIKeyGPDKOGSIKPHCPN-CXBDEZGUSA-N
XLogP1.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.28
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

ethane;N-[(2E,3E)-2-ethylidene-4-formylhexa-3,5-dienyl]acetamide
CID 144553341
N-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]acetamide
CID 129262304
N-[(2E)-2-(methylsulfanylmethylidene)but-3-enyl]acetamide
CID 143717677
N-[(1E,3Z)-4-(methylideneamino)buta-1,3-dienyl]acetamide
CID 143328534
N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide
CID 122535321
N-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]acetamide
CID 170190976
N-(2-methylidenehexa-3,5-dienyl)acetamide
CID 123691592
N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide
CID 167457562
1-[(Z)-4-[(Z)-2-(methylideneamino)ethenyl]hex-4-enyl]piperidine-2,6-dione
CID 154469852
bis(2-acetamidoacetic acid);copper;trihydrate
CID 57404078
2-acetamidoacetate;chromium(3+)
CID 161474806
(2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 146639818

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide?
The IUPAC name of N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide (CID 144540768) is N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide.
What is the SMILES notation for N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide?
The canonical SMILES for N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide is C=N/C=C\C(=C/C)CNC(C)=O.
What is the InChIKey of N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide?
The InChIKey is GPDKOGSIKPHCPN-CXBDEZGUSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-9(5-6-10-3)7-11-8(2)12/h4-6H,3,7H2,1-2H3,(H,11,12)/b6-5-,9-4+.
What are the key properties of N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide?
N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide has a molecular weight of 166.22 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide is sourced from PubChem (CID 144540768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).