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

C10H15NO3 — CID 12710058

IUPAC[pent-4-enoyl(prop-2-enyl)amino] acetate
SMILESC=CCCC(=O)N(CC=C)OC(C)=O
InChIInChI=1S/C10H15NO3/c1-4-6-7-10(13)11(8-5-2)14-9(3)12/h4-5H,1-2,6-8H2,3H3
InChIKeyWQJZNFNYWLFRKT-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.45
Rot. Bonds5

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

[pent-4-enoyl(prop-2-enyl)amino] acetate (PubChem CID 12710058) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is [pent-4-enoyl(prop-2-enyl)amino] acetate.

Molecular Properties

Compound Name[pent-4-enoyl(prop-2-enyl)amino] acetate
PubChem CID12710058
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name[pent-4-enoyl(prop-2-enyl)amino] acetate
SMILESC=CCCC(=O)N(CC=C)OC(C)=O
InChIInChI=1S/C10H15NO3/c1-4-6-7-10(13)11(8-5-2)14-9(3)12/h4-5H,1-2,6-8H2,3H3
InChIKeyWQJZNFNYWLFRKT-UHFFFAOYSA-N
XLogP1.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.45
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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Related Compounds

N-(Acetyloxy)-N-(prop-2-en-1-yl)pent-4-ynamide
CID 13128359
N-methoxy-N-prop-2-enylbut-3-enamide
CID 134896787
N-(Acetyloxy)-N-(prop-2-en-1-yl)hex-5-enamide
CID 12710060
N-[(Methoxycarbonyl)oxy]-N-(prop-2-en-1-yl)pent-4-enamide
CID 13128365
[Acetyl(ethyl)amino] but-3-enoate
CID 88571194
(3-Ethenyl-2-oxopyrrolidin-1-yl) propanoate
CID 140347026
(3-Ethenyl-2-oxopyrrolidin-1-yl) acetate
CID 140499518
N-hydroxy-N-propan-2-ylpent-4-enamide
CID 11367147
N-Hydroxy-N-(prop-2-EN-1-YL)pent-4-enamide
CID 13128364
N-(Acetyloxy)-N-(but-2-en-1-yl)pent-4-enamide
CID 71411994
N-(Acetyloxy)-N-(pent-3-en-2-yl)pent-4-enamide
CID 71411997

Frequently Asked Questions

What is the IUPAC name of [pent-4-enoyl(prop-2-enyl)amino] acetate?
The IUPAC name of [pent-4-enoyl(prop-2-enyl)amino] acetate (CID 12710058) is [pent-4-enoyl(prop-2-enyl)amino] acetate.
What is the SMILES notation for [pent-4-enoyl(prop-2-enyl)amino] acetate?
The canonical SMILES for [pent-4-enoyl(prop-2-enyl)amino] acetate is C=CCCC(=O)N(CC=C)OC(C)=O.
What is the InChIKey of [pent-4-enoyl(prop-2-enyl)amino] acetate?
The InChIKey is WQJZNFNYWLFRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-6-7-10(13)11(8-5-2)14-9(3)12/h4-5H,1-2,6-8H2,3H3.
What are the key properties of [pent-4-enoyl(prop-2-enyl)amino] acetate?
[pent-4-enoyl(prop-2-enyl)amino] acetate has a molecular weight of 197.23 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [pent-4-enoyl(prop-2-enyl)amino] acetate is sourced from PubChem (CID 12710058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).