[but-2-enyl(pent-4-enoyl)amino] acetate

C11H17NO3 — CID 71411994

IUPAC[but-2-enyl(pent-4-enoyl)amino] acetate
SMILESC=CCCC(=O)N(CC=CC)OC(C)=O
InChIInChI=1S/C11H17NO3/c1-4-6-8-11(14)12(9-7-5-2)15-10(3)13/h4-5,7H,1,6,8-9H2,2-3H3
InChIKeyJSHIOLXGOOGMTO-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.84
Rot. Bonds5

About [but-2-enyl(pent-4-enoyl)amino] acetate

[but-2-enyl(pent-4-enoyl)amino] acetate (PubChem CID 71411994) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is [but-2-enyl(pent-4-enoyl)amino] acetate.

Molecular Properties

Compound Name[but-2-enyl(pent-4-enoyl)amino] acetate
PubChem CID71411994
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name[but-2-enyl(pent-4-enoyl)amino] acetate
SMILESC=CCCC(=O)N(CC=CC)OC(C)=O
InChIInChI=1S/C11H17NO3/c1-4-6-8-11(14)12(9-7-5-2)15-10(3)13/h4-5,7H,1,6,8-9H2,2-3H3
InChIKeyJSHIOLXGOOGMTO-UHFFFAOYSA-N
XLogP1.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [but-2-enyl(pent-4-enoyl)amino] acetate?
The IUPAC name of [but-2-enyl(pent-4-enoyl)amino] acetate (CID 71411994) is [but-2-enyl(pent-4-enoyl)amino] acetate.
What is the SMILES notation for [but-2-enyl(pent-4-enoyl)amino] acetate?
The canonical SMILES for [but-2-enyl(pent-4-enoyl)amino] acetate is C=CCCC(=O)N(CC=CC)OC(C)=O.
What is the InChIKey of [but-2-enyl(pent-4-enoyl)amino] acetate?
The InChIKey is JSHIOLXGOOGMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-6-8-11(14)12(9-7-5-2)15-10(3)13/h4-5,7H,1,6,8-9H2,2-3H3.
What are the key properties of [but-2-enyl(pent-4-enoyl)amino] acetate?
[but-2-enyl(pent-4-enoyl)amino] acetate has a molecular weight of 211.26 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [but-2-enyl(pent-4-enoyl)amino] acetate is sourced from PubChem (CID 71411994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).