2-(ethylamino)ethyl prop-2-enoate

C7H13NO2 — CID 18325602

IUPAC2-(ethylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNCC
InChIInChI=1S/C7H13NO2/c1-3-7(9)10-6-5-8-4-2/h3,8H,1,4-6H2,2H3
InChIKeyBDKSYBXVYUGXIG-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.33
Rot. Bonds5

About 2-(ethylamino)ethyl prop-2-enoate

2-(ethylamino)ethyl prop-2-enoate (PubChem CID 18325602) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(ethylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(ethylamino)ethyl prop-2-enoate
PubChem CID18325602
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(ethylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNCC
InChIInChI=1S/C7H13NO2/c1-3-7(9)10-6-5-8-4-2/h3,8H,1,4-6H2,2H3
InChIKeyBDKSYBXVYUGXIG-UHFFFAOYSA-N
XLogP0.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(Dimethylamino)ethyl acrylate
CID 17111
N-t-Butylaminoethyl acrylate
CID 10130166
Diethyl(2-prop-2-enoyloxyethyl)azanium;hydron;sulfate
CID 91997070
N-acryloyloxyethylacrylamide
CID 15084870
2-Aminoethyl acrylate
CID 6455702
2-Propenoic acid, 2-methyl-, 2-(methylamino)ethyl ester
CID 10154110
2-(Ethylamino)ethyl 2-methylprop-2-enoate
CID 18325612
2-Acetamidoethyl prop-2-enoate
CID 23089005
2-[(2-Hydroxyethyl)amino]ethyl acrylate
CID 57276811
2-(Acryloyloxyethyl) trimethylammonium chloride
CID 71773601
2-Acryloyloxyethyl urethane
CID 87964813
2-(2-Hydroxyethylamino)ethanol;methyl prop-2-enoate
CID 174702275

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(ethylamino)ethyl prop-2-enoate (CID 18325602) is 2-(ethylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(ethylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(ethylamino)ethyl prop-2-enoate is C=CC(=O)OCCNCC.
What is the InChIKey of 2-(ethylamino)ethyl prop-2-enoate?
The InChIKey is BDKSYBXVYUGXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-7(9)10-6-5-8-4-2/h3,8H,1,4-6H2,2H3.
What are the key properties of 2-(ethylamino)ethyl prop-2-enoate?
2-(ethylamino)ethyl prop-2-enoate has a molecular weight of 143.19 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethyl prop-2-enoate is sourced from PubChem (CID 18325602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).