N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide

C10H16N2O — CID 134406094

IUPACN-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide
SMILESC=C/N=C/C(=C\C)CNC(=O)CC
InChIInChI=1S/C10H16N2O/c1-4-9(7-11-6-3)8-12-10(13)5-2/h4,6-7H,3,5,8H2,1-2H3,(H,12,13)/b9-4+,11-7+
InChIKeyGFDNMXOLUUHCGY-BFFNUNQPSA-N
MW180.25 g/mol
LogP1.67
Rot. Bonds5

About N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide

N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide (PubChem CID 134406094) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide.

Molecular Properties

Compound NameN-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide
PubChem CID134406094
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide
SMILESC=C/N=C/C(=C\C)CNC(=O)CC
InChIInChI=1S/C10H16N2O/c1-4-9(7-11-6-3)8-12-10(13)5-2/h4,6-7H,3,5,8H2,1-2H3,(H,12,13)/b9-4+,11-7+
InChIKeyGFDNMXOLUUHCGY-BFFNUNQPSA-N
XLogP1.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methyliminomethyl)but-2-enyl]acetamide
CID 123446401
ethane;N-[3-(ethenyliminomethyl)but-3-enyl]acetamide
CID 142506758
ethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide
CID 143529169
N,2-dimethylprop-2-en-1-imine;ethane;N-ethenylacetamide
CID 144086800
N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-3-methylbut-3-enamide
CID 144603700
N-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide
CID 144946520
N-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide
CID 147840228
N-[3-amino-2-(methyliminomethyl)prop-2-enyl]-N-methylpropanamide
CID 149404415
N-[(E)-2-ethenyl-3-methyl-4-methyliminobut-2-enyl]propanamide;molecular hydrogen
CID 157037980
(2E)-2-(1-ethenyl-5-methylpyrazin-2-ylidene)-N-ethylpropanamide
CID 164593864
N-[3-amino-2-(methyliminomethyl)prop-2-enyl]acetamide
CID 173681844
N-[(1E,3Z)-3-(ethyliminomethyl)penta-1,3-dienyl]acetamide;molecular hydrogen
CID 178174467

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide?
The IUPAC name of N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide (CID 134406094) is N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide.
What is the SMILES notation for N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide?
The canonical SMILES for N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide is C=C/N=C/C(=C\C)CNC(=O)CC.
What is the InChIKey of N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide?
The InChIKey is GFDNMXOLUUHCGY-BFFNUNQPSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-9(7-11-6-3)8-12-10(13)5-2/h4,6-7H,3,5,8H2,1-2H3,(H,12,13)/b9-4+,11-7+.
What are the key properties of N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide?
N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide has a molecular weight of 180.25 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide is sourced from PubChem (CID 134406094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).