(Z)-2-ethenyl-N-[3-[(Z)-prop-1-enyl]iminopropyl]pent-3-enamide

C13H20N2O — CID 143447073

IUPAC(Z)-2-ethenyl-N-[3-[(Z)-prop-1-enyl]iminopropyl]pent-3-enamide
SMILESC=CC(/C=C\C)C(=O)NCC/C=N/C=C\C
InChIInChI=1S/C13H20N2O/c1-4-8-12(6-3)13(16)15-11-7-10-14-9-5-2/h4-6,8-10,12H,3,7,11H2,1-2H3,(H,15,16)/b8-4-,9-5-,14-10+
InChIKeyVRNDVVRWMZPXTB-GTQRBPAVSA-N
MW220.32 g/mol
LogP2.48
Rot. Bonds7

About (Z)-2-ethenyl-N-[3-[(Z)-prop-1-enyl]iminopropyl]pent-3-enamide

(Z)-2-ethenyl-N-[3-[(Z)-prop-1-enyl]iminopropyl]pent-3-enamide (PubChem CID 143447073) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (Z)-2-ethenyl-N-[3-[(Z)-prop-1-enyl]iminopropyl]pent-3-enamide.

Molecular Properties

Compound Name(Z)-2-ethenyl-N-[3-[(Z)-prop-1-enyl]iminopropyl]pent-3-enamide
PubChem CID143447073
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(Z)-2-ethenyl-N-[3-[(Z)-prop-1-enyl]iminopropyl]pent-3-enamide
SMILESC=CC(/C=C\C)C(=O)NCC/C=N/C=C\C
InChIInChI=1S/C13H20N2O/c1-4-8-12(6-3)13(16)15-11-7-10-14-9-5-2/h4-6,8-10,12H,3,7,11H2,1-2H3,(H,15,16)/b8-4-,9-5-,14-10+
InChIKeyVRNDVVRWMZPXTB-GTQRBPAVSA-N
XLogP2.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

n-Propyldihydronicotinamide
CID 129632151
N-methyl-2,5-dihydropyridine-5-carboxamide
CID 56627304
(Z)-N-[3-[ethyl(methyl)amino]propyl]-2-methyl-4-(methylideneamino)but-3-enamide
CID 90246005
N-ethyl-2,5-dihydropyridine-5-carboxamide
CID 91444132
(3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propyldodeca-3,6,8-trienamide
CID 123635276
(3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propylundeca-3,6,8-trienamide
CID 123709616
N-ethyl-4-(prop-2-enylideneamino)but-3-enamide
CID 123947374
N-butyl-3,4-dihydropyridine-3-carboxamide
CID 130218186
N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide
CID 134406094
N-[1-(3,4-dihydropyridin-6-yl)ethyl]-2-methylpropanamide
CID 137490627
N-(3H-azepin-4-ylmethyl)acetamide
CID 143108270
ethane;N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide
CID 143529169

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethenyl-N-[3-[(Z)-prop-1-enyl]iminopropyl]pent-3-enamide?
The IUPAC name of (Z)-2-ethenyl-N-[3-[(Z)-prop-1-enyl]iminopropyl]pent-3-enamide (CID 143447073) is (Z)-2-ethenyl-N-[3-[(Z)-prop-1-enyl]iminopropyl]pent-3-enamide.
What is the SMILES notation for (Z)-2-ethenyl-N-[3-[(Z)-prop-1-enyl]iminopropyl]pent-3-enamide?
The canonical SMILES for (Z)-2-ethenyl-N-[3-[(Z)-prop-1-enyl]iminopropyl]pent-3-enamide is C=CC(/C=C\C)C(=O)NCC/C=N/C=C\C.
What is the InChIKey of (Z)-2-ethenyl-N-[3-[(Z)-prop-1-enyl]iminopropyl]pent-3-enamide?
The InChIKey is VRNDVVRWMZPXTB-GTQRBPAVSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-8-12(6-3)13(16)15-11-7-10-14-9-5-2/h4-6,8-10,12H,3,7,11H2,1-2H3,(H,15,16)/b8-4-,9-5-,14-10+.
What are the key properties of (Z)-2-ethenyl-N-[3-[(Z)-prop-1-enyl]iminopropyl]pent-3-enamide?
(Z)-2-ethenyl-N-[3-[(Z)-prop-1-enyl]iminopropyl]pent-3-enamide has a molecular weight of 220.32 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethenyl-N-[3-[(Z)-prop-1-enyl]iminopropyl]pent-3-enamide is sourced from PubChem (CID 143447073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).