ethyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate

C10H15NO3 — CID 3412735

IUPACethyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
SMILESC=CCN(CC=C)C(=O)C(=O)OCC
InChIInChI=1S/C10H15NO3/c1-4-7-11(8-5-2)9(12)10(13)14-6-3/h4-5H,1-2,6-8H2,3H3
InChIKeyZDJOYLZBTPINCT-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.75
Rot. Bonds5

About ethyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate

ethyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate (PubChem CID 3412735) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
PubChem CID3412735
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
SMILESC=CCN(CC=C)C(=O)C(=O)OCC
InChIInChI=1S/C10H15NO3/c1-4-7-11(8-5-2)9(12)10(13)14-6-3/h4-5H,1-2,6-8H2,3H3
InChIKeyZDJOYLZBTPINCT-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate (CID 3412735) is ethyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate is C=CCN(CC=C)C(=O)C(=O)OCC.
What is the InChIKey of ethyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate?
The InChIKey is ZDJOYLZBTPINCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-7-11(8-5-2)9(12)10(13)14-6-3/h4-5H,1-2,6-8H2,3H3.
What are the key properties of ethyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate?
ethyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate has a molecular weight of 197.23 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate is sourced from PubChem (CID 3412735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).