[(Z)-4-(ethylamino)but-2-enyl] acetate

C8H15NO2 — CID 86682678

IUPAC[(Z)-4-(ethylamino)but-2-enyl] acetate
SMILESCCNC/C=C\COC(C)=O
InChIInChI=1S/C8H15NO2/c1-3-9-6-4-5-7-11-8(2)10/h4-5,9H,3,6-7H2,1-2H3/b5-4-
InChIKeyIGIZIOZCAGPXHA-PLNGDYQASA-N
MW157.21 g/mol
LogP0.72
Rot. Bonds5

About [(Z)-4-(ethylamino)but-2-enyl] acetate

[(Z)-4-(ethylamino)but-2-enyl] acetate (PubChem CID 86682678) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(Z)-4-(ethylamino)but-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-4-(ethylamino)but-2-enyl] acetate
PubChem CID86682678
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(Z)-4-(ethylamino)but-2-enyl] acetate
SMILESCCNC/C=C\COC(C)=O
InChIInChI=1S/C8H15NO2/c1-3-9-6-4-5-7-11-8(2)10/h4-5,9H,3,6-7H2,1-2H3/b5-4-
InChIKeyIGIZIOZCAGPXHA-PLNGDYQASA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 6024823
CID 6024823
CID 19778141
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CID 57436598
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CID 115406593
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CID 15568642
CID 15568642
CID 21318469
CID 21318469
CID 80546468
CID 80546468
CID 80547583
CID 80547583
CID 10083046
CID 10083046
CID 4161473
CID 4161473
CID 14474982
CID 14474982
CID 17856172
CID 17856172

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-(ethylamino)but-2-enyl] acetate?
The IUPAC name of [(Z)-4-(ethylamino)but-2-enyl] acetate (CID 86682678) is [(Z)-4-(ethylamino)but-2-enyl] acetate.
What is the SMILES notation for [(Z)-4-(ethylamino)but-2-enyl] acetate?
The canonical SMILES for [(Z)-4-(ethylamino)but-2-enyl] acetate is CCNC/C=C\COC(C)=O.
What is the InChIKey of [(Z)-4-(ethylamino)but-2-enyl] acetate?
The InChIKey is IGIZIOZCAGPXHA-PLNGDYQASA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-9-6-4-5-7-11-8(2)10/h4-5,9H,3,6-7H2,1-2H3/b5-4-.
What are the key properties of [(Z)-4-(ethylamino)but-2-enyl] acetate?
[(Z)-4-(ethylamino)but-2-enyl] acetate has a molecular weight of 157.21 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-(ethylamino)but-2-enyl] acetate is sourced from PubChem (CID 86682678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).