[pent-4-enoyl(pent-3-en-2-yl)amino] acetate

C12H19NO3 — CID 71411997

IUPAC[pent-4-enoyl(pent-3-en-2-yl)amino] acetate
SMILESC=CCCC(=O)N(OC(C)=O)C(C)C=CC
InChIInChI=1S/C12H19NO3/c1-5-7-9-12(15)13(16-11(4)14)10(3)8-6-2/h5-6,8,10H,1,7,9H2,2-4H3
InChIKeyAUMJVYZSTYRIJC-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.22
Rot. Bonds5

About [pent-4-enoyl(pent-3-en-2-yl)amino] acetate

[pent-4-enoyl(pent-3-en-2-yl)amino] acetate (PubChem CID 71411997) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is [pent-4-enoyl(pent-3-en-2-yl)amino] acetate.

Molecular Properties

Compound Name[pent-4-enoyl(pent-3-en-2-yl)amino] acetate
PubChem CID71411997
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name[pent-4-enoyl(pent-3-en-2-yl)amino] acetate
SMILESC=CCCC(=O)N(OC(C)=O)C(C)C=CC
InChIInChI=1S/C12H19NO3/c1-5-7-9-12(15)13(16-11(4)14)10(3)8-6-2/h5-6,8,10H,1,7,9H2,2-4H3
InChIKeyAUMJVYZSTYRIJC-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.22
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 [pent-4-enoyl(pent-3-en-2-yl)amino] acetate?
The IUPAC name of [pent-4-enoyl(pent-3-en-2-yl)amino] acetate (CID 71411997) is [pent-4-enoyl(pent-3-en-2-yl)amino] acetate.
What is the SMILES notation for [pent-4-enoyl(pent-3-en-2-yl)amino] acetate?
The canonical SMILES for [pent-4-enoyl(pent-3-en-2-yl)amino] acetate is C=CCCC(=O)N(OC(C)=O)C(C)C=CC.
What is the InChIKey of [pent-4-enoyl(pent-3-en-2-yl)amino] acetate?
The InChIKey is AUMJVYZSTYRIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-5-7-9-12(15)13(16-11(4)14)10(3)8-6-2/h5-6,8,10H,1,7,9H2,2-4H3.
What are the key properties of [pent-4-enoyl(pent-3-en-2-yl)amino] acetate?
[pent-4-enoyl(pent-3-en-2-yl)amino] acetate has a molecular weight of 225.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [pent-4-enoyl(pent-3-en-2-yl)amino] acetate is sourced from PubChem (CID 71411997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).